N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide

C16H25NO3 — CID 70734600

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC[C@@H](CO)NC(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C16H25NO3/c1-4-14(11-18)17-15(19)13-7-5-6-12(10-13)8-9-16(2,3)20/h5-7,10,14,18,20H,4,8-9,11H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyAGILEZBXLXSJNW-AWEZNQCLSA-N
MW279.38 g/mol
LogP1.89
Rot. Bonds7

About N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide

N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 70734600) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID70734600
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC[C@@H](CO)NC(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C16H25NO3/c1-4-14(11-18)17-15(19)13-7-5-6-12(10-13)8-9-16(2,3)20/h5-7,10,14,18,20H,4,8-9,11H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyAGILEZBXLXSJNW-AWEZNQCLSA-N
XLogP1.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)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-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide (CID 70734600) is N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide is CC[C@@H](CO)NC(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is AGILEZBXLXSJNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-14(11-18)17-15(19)13-7-5-6-12(10-13)8-9-16(2,3)20/h5-7,10,14,18,20H,4,8-9,11H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 279.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 70734600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).