N,N-dicyclohexyl-3-methylbutanamide

C17H31NO — CID 602764

IUPACN,N-dicyclohexyl-3-methylbutanamide
SMILESCC(C)CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-14(2)13-17(19)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h14-16H,3-13H2,1-2H3
InChIKeyOUCSXSZEUCWQAD-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.53
Rot. Bonds4

About N,N-dicyclohexyl-3-methylbutanamide

N,N-dicyclohexyl-3-methylbutanamide (PubChem CID 602764) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N,N-dicyclohexyl-3-methylbutanamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-3-methylbutanamide
PubChem CID602764
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN,N-dicyclohexyl-3-methylbutanamide
SMILESCC(C)CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-14(2)13-17(19)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h14-16H,3-13H2,1-2H3
InChIKeyOUCSXSZEUCWQAD-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dicyclohexyl-3-methylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-3-methylbutanamide?
The IUPAC name of N,N-dicyclohexyl-3-methylbutanamide (CID 602764) is N,N-dicyclohexyl-3-methylbutanamide.
What is the SMILES notation for N,N-dicyclohexyl-3-methylbutanamide?
The canonical SMILES for N,N-dicyclohexyl-3-methylbutanamide is CC(C)CC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-3-methylbutanamide?
The InChIKey is OUCSXSZEUCWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-14(2)13-17(19)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h14-16H,3-13H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-3-methylbutanamide?
N,N-dicyclohexyl-3-methylbutanamide has a molecular weight of 265.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-3-methylbutanamide is sourced from PubChem (CID 602764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).