N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide

C17H17NO2 — CID 57161994

IUPACN-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
SMILESC=C[C@@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-15(19)16(13-9-5-3-6-10-13)18-17(20)14-11-7-4-8-12-14/h2-12,15-16,19H,1H2,(H,18,20)/t15-,16+/m1/s1
InChIKeyOQLKLXPKPPPXDZ-CVEARBPZSA-N
MW267.33 g/mol
LogP2.70
Rot. Bonds5

About N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide

N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide (PubChem CID 57161994) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
PubChem CID57161994
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
SMILESC=C[C@@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-15(19)16(13-9-5-3-6-10-13)18-17(20)14-11-7-4-8-12-14/h2-12,15-16,19H,1H2,(H,18,20)/t15-,16+/m1/s1
InChIKeyOQLKLXPKPPPXDZ-CVEARBPZSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]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

N-(1,2-diphenylpent-4-enyl)benzamide
CID 2794125
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 175045736
N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide
CID 165345561
N-(1-aminoprop-2-enyl)benzamide
CID 69046323
(2S,3R)-3-benzamido-2-hydroxy-3-phenylpropanethioic S-acid
CID 18660976
N-(2,3-dihydroxy-1-phenylpropyl)benzamide
CID 14650575
N-(2-hydroxy-3-oxo-1-phenylbutyl)benzamide
CID 71218694
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
N-[(1R)-2-acetyl-3-oxo-1-phenylbutyl]benzamide
CID 11587624
N-(1-fluoroprop-2-enyl)benzamide
CID 69227826
(2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid
CID 71168164

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide (CID 57161994) is N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide is C=C[C@@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide?
The InChIKey is OQLKLXPKPPPXDZ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-15(19)16(13-9-5-3-6-10-13)18-17(20)14-11-7-4-8-12-14/h2-12,15-16,19H,1H2,(H,18,20)/t15-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide?
N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide is sourced from PubChem (CID 57161994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).