N-(Carbamoylcarbamoyl)-2-ethyl-butanamide
PubChem CID
339458
Structure
Molecular Formula
Synonyms
- Diethylacetylbiuret
- 82845-34-9
- N-(CARBAMOYLCARBAMOYL)-2-ETHYL-BUTANAMIDE
- Biuret, 1-(2-ethylbutyryl)-
- NIOSH/NJ6858000
Molecular Weight
201.22 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-26
- Modify:2024-12-07
Chemical Structure Depiction
N-(carbamoylcarbamoyl)-2-ethylbutanamide
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C8H15N3O3/c1-3-5(4-2)6(12)10-8(14)11-7(9)13/h5H,3-4H2,1-2H3,(H4,9,10,11,12,13,14)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
VNWJSMHISFGJBS-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCC(CC)C(=O)NC(=O)NC(=O)N
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C8H15N3O3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
82845-34-9
- Diethylacetylbiuret
- 82845-34-9
- N-(CARBAMOYLCARBAMOYL)-2-ETHYL-BUTANAMIDE
- Biuret, 1-(2-ethylbutyryl)-
- NIOSH/NJ6858000
- NJ68580000
- N-(2-Ethyl-1-oxobutyl)imidodicarbonic diamide
- Imidodicarbonic diamide, N-(2-ethyl-1-oxobutyl)-
- DTXSID10320908
- VNWJSMHISFGJBS-UHFFFAOYSA-N
- NSC366158
- NSC-366158
- 1-Aminocarbonyl-3-(2-ethyl-butanoyl)-urea
- DS-011660
- N-(2-Ethylbutanoyl)dicarbonimidic diamide #
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
201.22 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
1.6
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
201.11134135 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
201.11134135 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
101Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
236
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxN-(CARBAMOYLCARBAMOYL)-2-ETHYL-BUTANAMIDEhttps://comptox.epa.gov/dashboard/DTXSID10320908
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law1-Aminocarbonyl-3-(2-ethyl-butanoyl)-ureahttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseN-(2-Ethylbutanoyl)dicarbonimidic diamidehttps://spectrabase.com/spectrum/IjN6BpcGUJ5
- WikidataN-(CARBAMOYLCARBAMOYL)-2-ETHYL-BUTANAMIDEhttps://www.wikidata.org/wiki/Q82078487
- PubChem
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
CONTENTS