(E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide

C17H23NO3 — CID 963668

IUPAC(E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(OC)c1/C=C/C(=O)NC1CCCCC1
InChIInChI=1S/C17H23NO3/c1-20-15-9-6-10-16(21-2)14(15)11-12-17(19)18-13-7-4-3-5-8-13/h6,9-13H,3-5,7-8H2,1-2H3,(H,18,19)/b12-11+
InChIKeyXVCNSOXVTXBPGJ-VAWYXSNFSA-N
MW289.38 g/mol
LogP3.17
Rot. Bonds5

About (E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide

(E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide (PubChem CID 963668) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide
PubChem CID963668
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(OC)c1/C=C/C(=O)NC1CCCCC1
InChIInChI=1S/C17H23NO3/c1-20-15-9-6-10-16(21-2)14(15)11-12-17(19)18-13-7-4-3-5-8-13/h6,9-13H,3-5,7-8H2,1-2H3,(H,18,19)/b12-11+
InChIKeyXVCNSOXVTXBPGJ-VAWYXSNFSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide (CID 963668) is (E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide is COc1cccc(OC)c1/C=C/C(=O)NC1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide?
The InChIKey is XVCNSOXVTXBPGJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-9-6-10-16(21-2)14(15)11-12-17(19)18-13-7-4-3-5-8-13/h6,9-13H,3-5,7-8H2,1-2H3,(H,18,19)/b12-11+.
What are the key properties of (E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide?
(E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide has a molecular weight of 289.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-(2,6-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 963668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).