3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide

C18H26N2O2 — CID 4786488

IUPAC3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-14(21)19-17(15-9-5-3-6-10-15)13-18(22)20(2)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-13H2,1-2H3,(H,19,21)
InChIKeyGSNWPSDWNRWDEV-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.05
Rot. Bonds5

About 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide

3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide (PubChem CID 4786488) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
PubChem CID4786488
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-14(21)19-17(15-9-5-3-6-10-15)13-18(22)20(2)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-13H2,1-2H3,(H,19,21)
InChIKeyGSNWPSDWNRWDEV-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide 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 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide (CID 4786488) is 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide is CC(=O)NC(CC(=O)N(C)C1CCCCC1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide?
The InChIKey is GSNWPSDWNRWDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(21)19-17(15-9-5-3-6-10-15)13-18(22)20(2)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-13H2,1-2H3,(H,19,21).
What are the key properties of 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide?
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 4786488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).