CID 35865253
PubChem CID
35865253
Structure
Molecular Formula
Status
Non-live
Molecular Weight
353.5 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
N-(2,6-diethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
InChI=1S/C22H27NO3/c1-3-16-7-5-8-17(4-2)21(16)23-22(24)18-10-12-19(13-11-18)26-15-20-9-6-14-25-20/h5,7-8,10-13,20H,3-4,6,9,14-15H2,1-2H3,(H,23,24)/t20-/m0/s1
NQTMVKRIMBNVRD-FQEVSTJZSA-N
CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)OC[C@@H]3CCCO3
C22H27NO3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
353.5 g/mol
Property Name
XLogP3-AA
Property Value
4.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
353.19909372 g/mol
Property Name
Monoisotopic Mass
Property Value
353.19909372 g/mol
Property Name
Topological Polar Surface Area
Property Value
47.6 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
421
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS