(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide

C17H22ClNO — CID 884483

IUPAC(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C17H22ClNO/c1-2-19(15-9-4-3-5-10-15)17(20)13-12-14-8-6-7-11-16(14)18/h6-8,11-13,15H,2-5,9-10H2,1H3/b13-12+
InChIKeyMEJGOQBYMRQAIO-OUKQBFOZSA-N
MW291.82 g/mol
LogP4.53
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide

(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide (PubChem CID 884483) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
PubChem CID884483
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C17H22ClNO/c1-2-19(15-9-4-3-5-10-15)17(20)13-12-14-8-6-7-11-16(14)18/h6-8,11-13,15H,2-5,9-10H2,1H3/b13-12+
InChIKeyMEJGOQBYMRQAIO-OUKQBFOZSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide
CID 134061052
(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide
CID 55377955
3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 126801006
(E)-N-cyclobutyl-3-(2,3-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684628
(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[4-(1-methoxypropan-2-yloxy)phenyl]methyl]prop-2-enamide
CID 45236472
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-ethylamino]acetic acid
CID 54901044
(E)-3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 55520338
3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
CID 108904598
N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide
CID 3348745
(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
CID 42406532
3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
CID 4630618

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide (CID 884483) is (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide is CCN(C(=O)/C=C/c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide?
The InChIKey is MEJGOQBYMRQAIO-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-2-19(15-9-4-3-5-10-15)17(20)13-12-14-8-6-7-11-16(14)18/h6-8,11-13,15H,2-5,9-10H2,1H3/b13-12+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide?
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide has a molecular weight of 291.82 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide is sourced from PubChem (CID 884483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).