N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide

C16H17NO3 — CID 14412124

IUPACN-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-11-14(10-12-6-8-15(19)9-7-12)17-16(20)13-4-2-1-3-5-13/h1-9,14,18-19H,10-11H2,(H,17,20)/t14-/m0/s1
InChIKeyUMXNYFJFMMCSFQ-AWEZNQCLSA-N
MW271.32 g/mol
LogP1.73
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide

N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide (PubChem CID 14412124) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
PubChem CID14412124
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-11-14(10-12-6-8-15(19)9-7-12)17-16(20)13-4-2-1-3-5-13/h1-9,14,18-19H,10-11H2,(H,17,20)/t14-/m0/s1
InChIKeyUMXNYFJFMMCSFQ-AWEZNQCLSA-N
XLogP1.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide (CID 14412124) is N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide is O=C(N[C@H](CO)Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide?
The InChIKey is UMXNYFJFMMCSFQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO3/c18-11-14(10-12-6-8-15(19)9-7-12)17-16(20)13-4-2-1-3-5-13/h1-9,14,18-19H,10-11H2,(H,17,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide?
N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 14412124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).