N-(4,4-dimethylpentyl)-6-oxohexanamide

C13H25NO2 — CID 171520123

IUPACN-(4,4-dimethylpentyl)-6-oxohexanamide
SMILESCC(C)(C)CCCNC(=O)CCCCC=O
InChIInChI=1S/C13H25NO2/c1-13(2,3)9-7-10-14-12(16)8-5-4-6-11-15/h11H,4-10H2,1-3H3,(H,14,16)
InChIKeyJAOZLSAVCMABNA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.69
Rot. Bonds8

About N-(4,4-dimethylpentyl)-6-oxohexanamide

N-(4,4-dimethylpentyl)-6-oxohexanamide (PubChem CID 171520123) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-6-oxohexanamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-6-oxohexanamide
PubChem CID171520123
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(4,4-dimethylpentyl)-6-oxohexanamide
SMILESCC(C)(C)CCCNC(=O)CCCCC=O
InChIInChI=1S/C13H25NO2/c1-13(2,3)9-7-10-14-12(16)8-5-4-6-11-15/h11H,4-10H2,1-3H3,(H,14,16)
InChIKeyJAOZLSAVCMABNA-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4,4-dimethylpentyl)-6-oxohexanamide 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-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
6-oxo-N-pentylhexanamide
CID 90124095
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
14-oxo-N-pentadecyltetradecanamide
CID 90756507
N-butyl-10,10-dimethylundecanamide
CID 19922141
6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide
CID 126707815
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride
CID 119509534
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-6-oxohexanamide?
The IUPAC name of N-(4,4-dimethylpentyl)-6-oxohexanamide (CID 171520123) is N-(4,4-dimethylpentyl)-6-oxohexanamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-6-oxohexanamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-6-oxohexanamide is CC(C)(C)CCCNC(=O)CCCCC=O.
What is the InChIKey of N-(4,4-dimethylpentyl)-6-oxohexanamide?
The InChIKey is JAOZLSAVCMABNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,3)9-7-10-14-12(16)8-5-4-6-11-15/h11H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-(4,4-dimethylpentyl)-6-oxohexanamide?
N-(4,4-dimethylpentyl)-6-oxohexanamide has a molecular weight of 227.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-6-oxohexanamide is sourced from PubChem (CID 171520123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).