N-(4-phenylbutyl)hexanamide

C16H25NO — CID 4985988

IUPACN-(4-phenylbutyl)hexanamide
SMILESCCCCCC(=O)NCCCCc1ccccc1
InChIInChI=1S/C16H25NO/c1-2-3-5-13-16(18)17-14-9-8-12-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3,(H,17,18)
InChIKeyZDEHCFDEHIGJFZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.71
Rot. Bonds9

About N-(4-phenylbutyl)hexanamide

N-(4-phenylbutyl)hexanamide (PubChem CID 4985988) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(4-phenylbutyl)hexanamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)hexanamide
PubChem CID4985988
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(4-phenylbutyl)hexanamide
SMILESCCCCCC(=O)NCCCCc1ccccc1
InChIInChI=1S/C16H25NO/c1-2-3-5-13-16(18)17-14-9-8-12-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3,(H,17,18)
InChIKeyZDEHCFDEHIGJFZ-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-phenylbutyl)hexanamide 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-butyl-8-(4-phenylphenyl)octanamide
CID 152778485
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-ethyl-6-phenylhexanamide
CID 70953257
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide
CID 154978899
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370
carbonic acid;pentylbenzene
CID 157127683
N-benzylundecanamide
CID 5078198

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)hexanamide?
The IUPAC name of N-(4-phenylbutyl)hexanamide (CID 4985988) is N-(4-phenylbutyl)hexanamide.
What is the SMILES notation for N-(4-phenylbutyl)hexanamide?
The canonical SMILES for N-(4-phenylbutyl)hexanamide is CCCCCC(=O)NCCCCc1ccccc1.
What is the InChIKey of N-(4-phenylbutyl)hexanamide?
The InChIKey is ZDEHCFDEHIGJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-5-13-16(18)17-14-9-8-12-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3,(H,17,18).
What are the key properties of N-(4-phenylbutyl)hexanamide?
N-(4-phenylbutyl)hexanamide has a molecular weight of 247.38 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)hexanamide is sourced from PubChem (CID 4985988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).