(2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide

C17H17NO2 — CID 852719

IUPAC(2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide
SMILESC[C@H](C(=O)NCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(16(19)15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyGGIGDISRZFQVLL-ZDUSSCGKSA-N
MW267.33 g/mol
LogP2.82
Rot. Bonds5

About (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide

(2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide (PubChem CID 852719) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide
PubChem CID852719
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide
SMILESC[C@H](C(=O)NCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(16(19)15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyGGIGDISRZFQVLL-ZDUSSCGKSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide?
The IUPAC name of (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide (CID 852719) is (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide?
The canonical SMILES for (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide is C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide?
The InChIKey is GGIGDISRZFQVLL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13(16(19)15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide?
(2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-methyl-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 852719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).