N-benzyl-N-butyl-4-hydroxybutanamide

C15H23NO2 — CID 139706995

IUPACN-benzyl-N-butyl-4-hydroxybutanamide
SMILESCCCCN(Cc1ccccc1)C(=O)CCCO
InChIInChI=1S/C15H23NO2/c1-2-3-11-16(15(18)10-7-12-17)13-14-8-5-4-6-9-14/h4-6,8-9,17H,2-3,7,10-13H2,1H3
InChIKeyKZFWUPXGGNYFQK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.59
Rot. Bonds8

About N-benzyl-N-butyl-4-hydroxybutanamide

N-benzyl-N-butyl-4-hydroxybutanamide (PubChem CID 139706995) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-benzyl-N-butyl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-4-hydroxybutanamide
PubChem CID139706995
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-benzyl-N-butyl-4-hydroxybutanamide
SMILESCCCCN(Cc1ccccc1)C(=O)CCCO
InChIInChI=1S/C15H23NO2/c1-2-3-11-16(15(18)10-7-12-17)13-14-8-5-4-6-9-14/h4-6,8-9,17H,2-3,7,10-13H2,1H3
InChIKeyKZFWUPXGGNYFQK-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112729241
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-4-hydroxybutanamide?
The IUPAC name of N-benzyl-N-butyl-4-hydroxybutanamide (CID 139706995) is N-benzyl-N-butyl-4-hydroxybutanamide.
What is the SMILES notation for N-benzyl-N-butyl-4-hydroxybutanamide?
The canonical SMILES for N-benzyl-N-butyl-4-hydroxybutanamide is CCCCN(Cc1ccccc1)C(=O)CCCO.
What is the InChIKey of N-benzyl-N-butyl-4-hydroxybutanamide?
The InChIKey is KZFWUPXGGNYFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-11-16(15(18)10-7-12-17)13-14-8-5-4-6-9-14/h4-6,8-9,17H,2-3,7,10-13H2,1H3.
What are the key properties of N-benzyl-N-butyl-4-hydroxybutanamide?
N-benzyl-N-butyl-4-hydroxybutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-4-hydroxybutanamide is sourced from PubChem (CID 139706995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).