(2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide

C17H19NO2 — CID 101443576

IUPAC(2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(16(19)15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,13,16,19H,12H2,1H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyDPDUVEGUUKBNAY-CJNGLKHVSA-N
MW269.34 g/mol
LogP2.67
Rot. Bonds5

About (2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide

(2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide (PubChem CID 101443576) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide
PubChem CID101443576
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(16(19)15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,13,16,19H,12H2,1H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyDPDUVEGUUKBNAY-CJNGLKHVSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-N-benzyl-3-hydroxy-2-methyl-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

Related Compounds

N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
Secoclausenamide
CID 10424832
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 744627
Secodemethylclausenamide
CID 70378439
(2S)-N-[(E,3S,6S)-6-hydroxy-2,5-dimethyl-6-phenylhex-4-en-3-yl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanamide
CID 11541101
(2S)-N-[(E,3S,6R)-6-hydroxy-2,5-dimethyl-6-phenylhex-4-en-3-yl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanamide
CID 11548330
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761709
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenylcyclohexane-1-carboxamide
CID 145991916
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 6610217
(Z,12R)-12-hydroxy-N-[(1S)-1-phenylethyl]octadec-9-enamide
CID 49864759

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide?
The IUPAC name of (2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide (CID 101443576) is (2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide?
The canonical SMILES for (2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide is C[C@@H](C(=O)NCc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide?
The InChIKey is DPDUVEGUUKBNAY-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(16(19)15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,13,16,19H,12H2,1H3,(H,18,20)/t13-,16+/m1/s1.
What are the key properties of (2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide?
(2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide has a molecular weight of 269.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-benzyl-3-hydroxy-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 101443576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).