N,N-dicyclohexyl-3-methyl-3-phenylbutanamide

C23H35NO — CID 144994558

IUPACN,N-dicyclohexyl-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C23H35NO/c1-23(2,19-12-6-3-7-13-19)18-22(25)24(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3,6-7,12-13,20-21H,4-5,8-11,14-18H2,1-2H3
InChIKeyHNZOEYGOWFZBIZ-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.85
Rot. Bonds5

About N,N-dicyclohexyl-3-methyl-3-phenylbutanamide

N,N-dicyclohexyl-3-methyl-3-phenylbutanamide (PubChem CID 144994558) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is N,N-dicyclohexyl-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-3-methyl-3-phenylbutanamide
PubChem CID144994558
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC NameN,N-dicyclohexyl-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C23H35NO/c1-23(2,19-12-6-3-7-13-19)18-22(25)24(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3,6-7,12-13,20-21H,4-5,8-11,14-18H2,1-2H3
InChIKeyHNZOEYGOWFZBIZ-UHFFFAOYSA-N
XLogP5.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dicyclohexyl-3-methyl-3-phenylbutanamide 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-methyl-3-phenylbutanamide?
The IUPAC name of N,N-dicyclohexyl-3-methyl-3-phenylbutanamide (CID 144994558) is N,N-dicyclohexyl-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N,N-dicyclohexyl-3-methyl-3-phenylbutanamide?
The canonical SMILES for N,N-dicyclohexyl-3-methyl-3-phenylbutanamide is CC(C)(CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1.
What is the InChIKey of N,N-dicyclohexyl-3-methyl-3-phenylbutanamide?
The InChIKey is HNZOEYGOWFZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-23(2,19-12-6-3-7-13-19)18-22(25)24(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3,6-7,12-13,20-21H,4-5,8-11,14-18H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-3-methyl-3-phenylbutanamide?
N,N-dicyclohexyl-3-methyl-3-phenylbutanamide has a molecular weight of 341.54 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 144994558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).