N-[4-(azepan-1-yl)phenyl]butanamide

C16H24N2O — CID 60593025

IUPACN-[4-(azepan-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-7-16(19)17-14-8-10-15(11-9-14)18-12-5-3-4-6-13-18/h8-11H,2-7,12-13H2,1H3,(H,17,19)
InChIKeyGFNGJAQDATXPBA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.81
Rot. Bonds4

About N-[4-(azepan-1-yl)phenyl]butanamide

N-[4-(azepan-1-yl)phenyl]butanamide (PubChem CID 60593025) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]butanamide
PubChem CID60593025
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[4-(azepan-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-7-16(19)17-14-8-10-15(11-9-14)18-12-5-3-4-6-13-18/h8-11H,2-7,12-13H2,1H3,(H,17,19)
InChIKeyGFNGJAQDATXPBA-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(azepan-1-yl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
N-[4-(4-oxopiperidin-1-yl)phenyl]butanamide
CID 22220544
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373
3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109012504
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
3-methylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18165019
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]butanamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]butanamide (CID 60593025) is N-[4-(azepan-1-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]butanamide?
The InChIKey is GFNGJAQDATXPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-7-16(19)17-14-8-10-15(11-9-14)18-12-5-3-4-6-13-18/h8-11H,2-7,12-13H2,1H3,(H,17,19).
What are the key properties of N-[4-(azepan-1-yl)phenyl]butanamide?
N-[4-(azepan-1-yl)phenyl]butanamide has a molecular weight of 260.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]butanamide is sourced from PubChem (CID 60593025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).