3-hydroxy-N-(2-hydroxybutyl)benzamide

C11H15NO3 — CID 115577642

IUPAC3-hydroxy-N-(2-hydroxybutyl)benzamide
SMILESCCC(O)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-9(13)7-12-11(15)8-4-3-5-10(14)6-8/h3-6,9,13-14H,2,7H2,1H3,(H,12,15)
InChIKeySMZDCZROGAVTDS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.89
Rot. Bonds4

About 3-hydroxy-N-(2-hydroxybutyl)benzamide

3-hydroxy-N-(2-hydroxybutyl)benzamide (PubChem CID 115577642) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxybutyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxybutyl)benzamide
PubChem CID115577642
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-hydroxy-N-(2-hydroxybutyl)benzamide
SMILESCCC(O)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-9(13)7-12-11(15)8-4-3-5-10(14)6-8/h3-6,9,13-14H,2,7H2,1H3,(H,12,15)
InChIKeySMZDCZROGAVTDS-UHFFFAOYSA-N
XLogP0.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
CID 114168739
N-ethyl-3-hydroxybenzamide
CID 13175248
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
CID 114313254
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
CID 107076071
3-hydroxy-N-octylbenzamide
CID 115568584
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
CID 103209174
methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxybutyl)benzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxybutyl)benzamide (CID 115577642) is 3-hydroxy-N-(2-hydroxybutyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxybutyl)benzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxybutyl)benzamide is CCC(O)CNC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxybutyl)benzamide?
The InChIKey is SMZDCZROGAVTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-9(13)7-12-11(15)8-4-3-5-10(14)6-8/h3-6,9,13-14H,2,7H2,1H3,(H,12,15).
What are the key properties of 3-hydroxy-N-(2-hydroxybutyl)benzamide?
3-hydroxy-N-(2-hydroxybutyl)benzamide has a molecular weight of 209.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxybutyl)benzamide is sourced from PubChem (CID 115577642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).