3-acetamido-N-(4-hydroxybutyl)benzamide

C13H18N2O3 — CID 106843063

IUPAC3-acetamido-N-(4-hydroxybutyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCCO)c1
InChIInChI=1S/C13H18N2O3/c1-10(17)15-12-6-4-5-11(9-12)13(18)14-7-2-3-8-16/h4-6,9,16H,2-3,7-8H2,1H3,(H,14,18)(H,15,17)
InChIKeyQEAMAIUBWHBKFS-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.15
Rot. Bonds6

About 3-acetamido-N-(4-hydroxybutyl)benzamide

3-acetamido-N-(4-hydroxybutyl)benzamide (PubChem CID 106843063) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-acetamido-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(4-hydroxybutyl)benzamide
PubChem CID106843063
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-acetamido-N-(4-hydroxybutyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCCO)c1
InChIInChI=1S/C13H18N2O3/c1-10(17)15-12-6-4-5-11(9-12)13(18)14-7-2-3-8-16/h4-6,9,16H,2-3,7-8H2,1H3,(H,14,18)(H,15,17)
InChIKeyQEAMAIUBWHBKFS-UHFFFAOYSA-N
XLogP1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
6-[(3-acetamidobenzoyl)amino]hexanoic acid
CID 43170043
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
3-acetamido-N-ethylbenzamide
CID 17230670
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
methyl 3-(6-hydroxyhexylcarbamoyl)benzoate
CID 108799701
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 3-acetamido-N-(4-hydroxybutyl)benzamide (CID 106843063) is 3-acetamido-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 3-acetamido-N-(4-hydroxybutyl)benzamide is CC(=O)Nc1cccc(C(=O)NCCCCO)c1.
What is the InChIKey of 3-acetamido-N-(4-hydroxybutyl)benzamide?
The InChIKey is QEAMAIUBWHBKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(17)15-12-6-4-5-11(9-12)13(18)14-7-2-3-8-16/h4-6,9,16H,2-3,7-8H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 3-acetamido-N-(4-hydroxybutyl)benzamide?
3-acetamido-N-(4-hydroxybutyl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 106843063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).