(E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide

C17H23NO2 — CID 797113

IUPAC(E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-2-20-16-11-8-14(9-12-16)10-13-17(19)18-15-6-4-3-5-7-15/h8-13,15H,2-7H2,1H3,(H,18,19)/b13-10+
InChIKeyQMUGFKZMCIKQSF-JLHYYAGUSA-N
MW273.38 g/mol
LogP3.55
Rot. Bonds5

About (E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 797113) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID797113
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-2-20-16-11-8-14(9-12-16)10-13-17(19)18-15-6-4-3-5-7-15/h8-13,15H,2-7H2,1H3,(H,18,19)/b13-10+
InChIKeyQMUGFKZMCIKQSF-JLHYYAGUSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide (CID 797113) is (E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is QMUGFKZMCIKQSF-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-20-16-11-8-14(9-12-16)10-13-17(19)18-15-6-4-3-5-7-15/h8-13,15H,2-7H2,1H3,(H,18,19)/b13-10+.
What are the key properties of (E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 273.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 797113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).