(E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide

C16H21NO — CID 732130

IUPAC(E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21NO/c1-17(15-10-6-3-7-11-15)16(18)13-12-14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3/b13-12+
InChIKeyAXTKMKUJCKDNBD-OUKQBFOZSA-N
MW243.35 g/mol
LogP3.49
Rot. Bonds3

About (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide

(E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide (PubChem CID 732130) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide
PubChem CID732130
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21NO/c1-17(15-10-6-3-7-11-15)16(18)13-12-14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3/b13-12+
InChIKeyAXTKMKUJCKDNBD-OUKQBFOZSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide 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 (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide (CID 732130) is (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide is CN(C(=O)/C=C/c1ccccc1)C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide?
The InChIKey is AXTKMKUJCKDNBD-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H21NO/c1-17(15-10-6-3-7-11-15)16(18)13-12-14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3/b13-12+.
What are the key properties of (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide?
(E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 732130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).