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

C13H19NO3 — CID 115993845

IUPAC3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CCC(C)O)cc1O
InChIInChI=1S/C13H19NO3/c1-9-4-5-11(8-12(9)16)13(17)14(3)7-6-10(2)15/h4-5,8,10,15-16H,6-7H2,1-3H3
InChIKeyZUZJIECWRCCYKW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.54
Rot. Bonds4

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

3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide (PubChem CID 115993845) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
PubChem CID115993845
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CCC(C)O)cc1O
InChIInChI=1S/C13H19NO3/c1-9-4-5-11(8-12(9)16)13(17)14(3)7-6-10(2)15/h4-5,8,10,15-16H,6-7H2,1-3H3
InChIKeyZUZJIECWRCCYKW-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

3-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 111695800
N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
CID 63393949
4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide
CID 113341456
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
3-hydroxy-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103957388
N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 115673368
N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide
CID 110016170
N-(3-hydroxybutyl)-N-methyl-3-sulfanylbenzamide
CID 107035726
N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
4-bromo-N-(3-hydroxybutyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 115735357
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide?
The IUPAC name of 3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide (CID 115993845) is 3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide?
The canonical SMILES for 3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CCC(C)O)cc1O.
What is the InChIKey of 3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide?
The InChIKey is ZUZJIECWRCCYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-4-5-11(8-12(9)16)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 3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide?
3-hydroxy-N-(3-hydroxybutyl)-N,4-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 3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 115993845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).