(E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide

C22H29FN2O2 — CID 126962397

IUPAC(E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)N(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H29FN2O2/c23-18-14-11-17(12-15-18)13-16-21(26)25(20-9-5-2-6-10-20)22(27)24-19-7-3-1-4-8-19/h11-16,19-20H,1-10H2,(H,24,27)/b16-13+
InChIKeyGUDFNCYAKAJWRN-DTQAZKPQSA-N
MW372.48 g/mol
LogP5.04
Rot. Bonds4

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

(E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 126962397) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is (E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID126962397
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name(E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)N(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H29FN2O2/c23-18-14-11-17(12-15-18)13-16-21(26)25(20-9-5-2-6-10-20)22(27)24-19-7-3-1-4-8-19/h11-16,19-20H,1-10H2,(H,24,27)/b16-13+
InChIKeyGUDFNCYAKAJWRN-DTQAZKPQSA-N
XLogP5.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.48
LogP ≤ 55.04
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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Related Compounds

(2E)-N-(cyclohexylcarbamothioyl)-3-(4-fluorophenyl)prop-2-enamide
CID 920802
N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 2088429
(5E)-1-[2-(4-fluorophenyl)ethyl]-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 1325215
1-[2-(4-fluorophenyl)ethyl]-5-(3-phenyl-2-propen-1-ylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1325216
1-Cyclohexyl-3-[1-(4-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450067
1-Cyclohexyl-3-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 1450155
N-cyclohexyl-N'-[3-(4-fluorophenyl)acryloyl]-N-methylthiourea
CID 1792254
(E)-N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 2422607
N-(cyclohexylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6236363
5-[2-(3,4-Difluoro-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10090676
N,N'-[(2-fluorophenyl)methanediyl]bisprop-2-enamide
CID 2526936
3-(4-fluorophenyl)-N-(1-methyl-3-phenylpropyl)acrylamide
CID 5737071

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide (CID 126962397) is (E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)N(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is GUDFNCYAKAJWRN-DTQAZKPQSA-N. The full InChI is InChI=1S/C22H29FN2O2/c23-18-14-11-17(12-15-18)13-16-21(26)25(20-9-5-2-6-10-20)22(27)24-19-7-3-1-4-8-19/h11-16,19-20H,1-10H2,(H,24,27)/b16-13+.
What are the key properties of (E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 372.48 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 126962397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).