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

C15H23NO2 — CID 54320849

IUPACN-butyl-3-(4-hydroxybutyl)benzamide
SMILESCCCCNC(=O)c1cccc(CCCCO)c1
InChIInChI=1S/C15H23NO2/c1-2-3-10-16-15(18)14-9-6-8-13(12-14)7-4-5-11-17/h6,8-9,12,17H,2-5,7,10-11H2,1H3,(H,16,18)
InChIKeyLTHULIBAKXCPQI-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.53
Rot. Bonds8

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

N-butyl-3-(4-hydroxybutyl)benzamide (PubChem CID 54320849) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-butyl-3-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound NameN-butyl-3-(4-hydroxybutyl)benzamide
PubChem CID54320849
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-butyl-3-(4-hydroxybutyl)benzamide
SMILESCCCCNC(=O)c1cccc(CCCCO)c1
InChIInChI=1S/C15H23NO2/c1-2-3-10-16-15(18)14-9-6-8-13(12-14)7-4-5-11-17/h6,8-9,12,17H,2-5,7,10-11H2,1H3,(H,16,18)
InChIKeyLTHULIBAKXCPQI-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(hydroxymethyl)-3-tetradecylbenzamide
CID 57272721
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
methyl 2-[(3-hexylbenzoyl)amino]acetate
CID 138465630
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
methyl 3-(4-hydroxybutyl)benzoate
CID 25172820
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide
CID 157229894
3-[[[amino(butylamino)methylidene]amino]methyl]-N-propylbenzamide
CID 111058612
N-hydroxy-N-methyl-3-tridecylbenzamide
CID 159220430
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-hydroxybutyl)benzamide?
The IUPAC name of N-butyl-3-(4-hydroxybutyl)benzamide (CID 54320849) is N-butyl-3-(4-hydroxybutyl)benzamide.
What is the SMILES notation for N-butyl-3-(4-hydroxybutyl)benzamide?
The canonical SMILES for N-butyl-3-(4-hydroxybutyl)benzamide is CCCCNC(=O)c1cccc(CCCCO)c1.
What is the InChIKey of N-butyl-3-(4-hydroxybutyl)benzamide?
The InChIKey is LTHULIBAKXCPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-10-16-15(18)14-9-6-8-13(12-14)7-4-5-11-17/h6,8-9,12,17H,2-5,7,10-11H2,1H3,(H,16,18).
What are the key properties of N-butyl-3-(4-hydroxybutyl)benzamide?
N-butyl-3-(4-hydroxybutyl)benzamide has a molecular weight of 249.35 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 54320849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).