N-(2-ethylhexyl)-3,5,5-trimethylhexanamide

C17H35NO — CID 154734376

IUPACN-(2-ethylhexyl)-3,5,5-trimethylhexanamide
SMILESCCCCC(CC)CNC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C17H35NO/c1-7-9-10-15(8-2)13-18-16(19)11-14(3)12-17(4,5)6/h14-15H,7-13H2,1-6H3,(H,18,19)
InChIKeyOKVLJDBLLKNOQZ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.78
Rot. Bonds9

About N-(2-ethylhexyl)-3,5,5-trimethylhexanamide

N-(2-ethylhexyl)-3,5,5-trimethylhexanamide (PubChem CID 154734376) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-(2-ethylhexyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-3,5,5-trimethylhexanamide
PubChem CID154734376
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-(2-ethylhexyl)-3,5,5-trimethylhexanamide
SMILESCCCCC(CC)CNC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C17H35NO/c1-7-9-10-15(8-2)13-18-16(19)11-14(3)12-17(4,5)6/h14-15H,7-13H2,1-6H3,(H,18,19)
InChIKeyOKVLJDBLLKNOQZ-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-ethylhexyl)-3,5,5-trimethylhexanamide 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-methylpropyl)dodecanamide
CID 345934
Hexanamide, 2-ethyl-N-methyl-
CID 14216
N-cyclohexanecarbonylpentadecylamine
CID 44398718
5-(tert-butyl)hexahydro-2H-azepin-2-one
CID 98432
N-(2-Methylpropyl)hexacosanamide
CID 14162529
N-(2-methylbutyl)dodecanamide
CID 122184887
Valeramide, N,2-dipropyl-
CID 200919
Valeramide, N-butyl-2-propyl-
CID 200921
5,5-Dimethylazepan-2-one
CID 10796842
4,4,6,6-Tetramethylazepan-2-one
CID 12689792
N-butylcyclohexanecarboxamide
CID 3544722
Isononanamide, N-(2-ethylhexyl)-
CID 15334712

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(2-ethylhexyl)-3,5,5-trimethylhexanamide (CID 154734376) is N-(2-ethylhexyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(2-ethylhexyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(2-ethylhexyl)-3,5,5-trimethylhexanamide is CCCCC(CC)CNC(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N-(2-ethylhexyl)-3,5,5-trimethylhexanamide?
The InChIKey is OKVLJDBLLKNOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-7-9-10-15(8-2)13-18-16(19)11-14(3)12-17(4,5)6/h14-15H,7-13H2,1-6H3,(H,18,19).
What are the key properties of N-(2-ethylhexyl)-3,5,5-trimethylhexanamide?
N-(2-ethylhexyl)-3,5,5-trimethylhexanamide has a molecular weight of 269.47 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 154734376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).