4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide

C13H19NO3 — CID 113341456

IUPAC4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)CCC(C)O
InChIInChI=1S/C13H19NO3/c1-9-8-11(16)4-5-12(9)13(17)14(3)7-6-10(2)15/h4-5,8,10,15-16H,6-7H2,1-3H3
InChIKeyGRWZIRFYFLNSKL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.54
Rot. Bonds4

About 4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide

4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide (PubChem CID 113341456) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide
PubChem CID113341456
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)CCC(C)O
InChIInChI=1S/C13H19NO3/c1-9-8-11(16)4-5-12(9)13(17)14(3)7-6-10(2)15/h4-5,8,10,15-16H,6-7H2,1-3H3
InChIKeyGRWZIRFYFLNSKL-UHFFFAOYSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107670497
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845
4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
CID 112702416
3-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 111695800
4-hydroxy-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107671595
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 103865091
N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 111695963
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 103865180

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide (CID 113341456) is 4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide is Cc1cc(O)ccc1C(=O)N(C)CCC(C)O.
What is the InChIKey of 4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide?
The InChIKey is GRWZIRFYFLNSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-8-11(16)4-5-12(9)13(17)14(3)7-6-10(2)15/h4-5,8,10,15-16H,6-7H2,1-3H3.
What are the key properties of 4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide?
4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 113341456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).