N-(2-hydroxyethyl)-4-methylbenzamide
PubChem CID
2725902
Structure
Molecular Formula
Synonyms
- N-(2-hydroxyethyl)-4-methylbenzamide
- 42469-26-1
- MFCD00277048
- Maybridge3_004864
- SCHEMBL764574
Molecular Weight
179.22 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-07-19
- Modify:2024-12-07
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Bz(4-Me)-Gly-ol
Sequence
G
HELM
PEPTIDE1{[Cc1ccc(cc1)C(=O)NCCO]}$$$$
IUPAC
N-(4-methylbenzoyl)-glycinol
N-(2-hydroxyethyl)-4-methylbenzamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C10H13NO2/c1-8-2-4-9(5-3-8)10(13)11-6-7-12/h2-5,12H,6-7H2,1H3,(H,11,13)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XXWPLMBYQJUAQQ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=CC=C(C=C1)C(=O)NCCO
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C10H13NO2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
179.22 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
0.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
179.094628657 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
179.094628657 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
49.3Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
162
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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 2021.10.14)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=XXWPLMBYQJUAQQ-UHFFFAOYSA-N
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBaseN-(2-Hydroxyethyl)-4-methylbenzamidehttps://spectrabase.com/spectrum/2mz68UnFrHs
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- PubChem
- PATENTSCOPE (WIPO)SID 403688711https://pubchem.ncbi.nlm.nih.gov/substance/403688711
CONTENTS