3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide

C18H20N2O3 — CID 110663941

IUPAC3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13(21)20-16-10-6-7-14(11-16)17(22)19-12-18(2,23)15-8-4-3-5-9-15/h3-11,23H,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYJCCVJNVZNENKT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.28
Rot. Bonds5

About 3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide

3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide (PubChem CID 110663941) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
PubChem CID110663941
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13(21)20-16-10-6-7-14(11-16)17(22)19-12-18(2,23)15-8-4-3-5-9-15/h3-11,23H,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYJCCVJNVZNENKT-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367751
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
3-acetamido-N-ethylbenzamide
CID 17230670
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-(2-hydroxy-2-phenylpropyl)-3-(methylsulfinylmethyl)benzamide
CID 111334878
N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497636
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
N-[4-[(2-hydroxy-2-phenylpropyl)amino]phenyl]acetamide
CID 62373656
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide?
The IUPAC name of 3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide (CID 110663941) is 3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide?
The canonical SMILES for 3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide is CC(=O)Nc1cccc(C(=O)NCC(C)(O)c2ccccc2)c1.
What is the InChIKey of 3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide?
The InChIKey is YJCCVJNVZNENKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(21)20-16-10-6-7-14(11-16)17(22)19-12-18(2,23)15-8-4-3-5-9-15/h3-11,23H,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide?
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide is sourced from PubChem (CID 110663941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).