N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide

C17H17NO2 — CID 101078744

IUPACN-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
SMILESCC(=O)[C@@](C)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(19)17(2,15-11-7-4-8-12-15)18-16(20)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,18,20)/t17-/m1/s1
InChIKeyBYOXRCNPVNULQY-QGZVFWFLSA-N
MW267.33 g/mol
LogP2.92
Rot. Bonds4

About N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide

N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide (PubChem CID 101078744) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
PubChem CID101078744
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
SMILESCC(=O)[C@@](C)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(19)17(2,15-11-7-4-8-12-15)18-16(20)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,18,20)/t17-/m1/s1
InChIKeyBYOXRCNPVNULQY-QGZVFWFLSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
N-(1-amino-1-oxo-2-phenylpropan-2-yl)pyridine-4-carboxamide
CID 139000795
2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 67684435
(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 57366194
N-(4-methyl-2-phenylpentan-2-yl)benzamide
CID 91484527
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide (CID 101078744) is N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide is CC(=O)[C@@](C)(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide?
The InChIKey is BYOXRCNPVNULQY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13(19)17(2,15-11-7-4-8-12-15)18-16(20)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,18,20)/t17-/m1/s1.
What are the key properties of N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide?
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 101078744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).