3-acetamido-N-cyclohexyl-3-phenylpropanamide

C17H24N2O2 — CID 5015111

IUPAC3-acetamido-N-cyclohexyl-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-13(20)18-16(14-8-4-2-5-9-14)12-17(21)19-15-10-6-3-7-11-15/h2,4-5,8-9,15-16H,3,6-7,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyIOXBKGNJVUZPGQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.70
Rot. Bonds5

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

3-acetamido-N-cyclohexyl-3-phenylpropanamide (PubChem CID 5015111) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-acetamido-N-cyclohexyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-cyclohexyl-3-phenylpropanamide
PubChem CID5015111
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-acetamido-N-cyclohexyl-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-13(20)18-16(14-8-4-2-5-9-14)12-17(21)19-15-10-6-3-7-11-15/h2,4-5,8-9,15-16H,3,6-7,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyIOXBKGNJVUZPGQ-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-cyclohexyl-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-cyclohexyl-3-phenylpropanamide (CID 5015111) is 3-acetamido-N-cyclohexyl-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-cyclohexyl-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-cyclohexyl-3-phenylpropanamide is CC(=O)NC(CC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-cyclohexyl-3-phenylpropanamide?
The InChIKey is IOXBKGNJVUZPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(20)18-16(14-8-4-2-5-9-14)12-17(21)19-15-10-6-3-7-11-15/h2,4-5,8-9,15-16H,3,6-7,10-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-acetamido-N-cyclohexyl-3-phenylpropanamide?
3-acetamido-N-cyclohexyl-3-phenylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-cyclohexyl-3-phenylpropanamide is sourced from PubChem (CID 5015111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).