3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide

C13H19NO3 — CID 113342931

IUPAC3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
SMILESCCC(O)CCNC(=O)c1cccc(O)c1C
InChIInChI=1S/C13H19NO3/c1-3-10(15)7-8-14-13(17)11-5-4-6-12(16)9(11)2/h4-6,10,15-16H,3,7-8H2,1-2H3,(H,14,17)
InChIKeyOUGWVOPIPDSYBX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds5

About 3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide

3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide (PubChem CID 113342931) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
PubChem CID113342931
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
SMILESCCC(O)CCNC(=O)c1cccc(O)c1C
InChIInChI=1S/C13H19NO3/c1-3-10(15)7-8-14-13(17)11-5-4-6-12(16)9(11)2/h4-6,10,15-16H,3,7-8H2,1-2H3,(H,14,17)
InChIKeyOUGWVOPIPDSYBX-UHFFFAOYSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
CID 115868349
N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide
CID 82830395
2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
CID 115703920
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166
N-(3-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 115703464

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide (CID 113342931) is 3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide is CCC(O)CCNC(=O)c1cccc(O)c1C.
What is the InChIKey of 3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide?
The InChIKey is OUGWVOPIPDSYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-10(15)7-8-14-13(17)11-5-4-6-12(16)9(11)2/h4-6,10,15-16H,3,7-8H2,1-2H3,(H,14,17).
What are the key properties of 3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide?
3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide is sourced from PubChem (CID 113342931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).