3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide

C18H21NO3 — CID 97108815

IUPAC3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide
SMILESCCOc1ccccc1-c1cccc(C(=O)NC[C@H](C)O)c1
InChIInChI=1S/C18H21NO3/c1-3-22-17-10-5-4-9-16(17)14-7-6-8-15(11-14)18(21)19-12-13(2)20/h4-11,13,20H,3,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyFGBOKZIIMBODMN-ZDUSSCGKSA-N
MW299.37 g/mol
LogP2.86
Rot. Bonds6

About 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide

3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide (PubChem CID 97108815) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide
PubChem CID97108815
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide
SMILESCCOc1ccccc1-c1cccc(C(=O)NC[C@H](C)O)c1
InChIInChI=1S/C18H21NO3/c1-3-22-17-10-5-4-9-16(17)14-7-6-8-15(11-14)18(21)19-12-13(2)20/h4-11,13,20H,3,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyFGBOKZIIMBODMN-ZDUSSCGKSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid
CID 120523341
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid
CID 120517664
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
4-ethoxy-N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)quinoline-6-carboxamide
CID 92867755
1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine
CID 62801214
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
CID 111432837
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide (CID 97108815) is 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide is CCOc1ccccc1-c1cccc(C(=O)NC[C@H](C)O)c1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide?
The InChIKey is FGBOKZIIMBODMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-22-17-10-5-4-9-16(17)14-7-6-8-15(11-14)18(21)19-12-13(2)20/h4-11,13,20H,3,12H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide?
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 97108815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).