(E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide

C19H22F3NO — CID 56506728

IUPAC(E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide
SMILESO=C(/C=C(\c1ccccc1)C(F)(F)F)N(C1CCCCC1)C1CC1
InChIInChI=1S/C19H22F3NO/c20-19(21,22)17(14-7-3-1-4-8-14)13-18(24)23(16-11-12-16)15-9-5-2-6-10-15/h1,3-4,7-8,13,15-16H,2,5-6,9-12H2/b17-13+
InChIKeyNEIBNRSJJAABFH-GHRIWEEISA-N
MW337.38 g/mol
LogP4.96
Rot. Bonds4

About (E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide

(E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide (PubChem CID 56506728) has the molecular formula C19H22F3NO and a molecular weight of 337.38 g/mol. Its IUPAC name is (E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide
PubChem CID56506728
Molecular FormulaC19H22F3NO
Molecular Weight337.38 g/mol
Exact Mass337.17
IUPAC Name(E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide
SMILESO=C(/C=C(\c1ccccc1)C(F)(F)F)N(C1CCCCC1)C1CC1
InChIInChI=1S/C19H22F3NO/c20-19(21,22)17(14-7-3-1-4-8-14)13-18(24)23(16-11-12-16)15-9-5-2-6-10-15/h1,3-4,7-8,13,15-16H,2,5-6,9-12H2/b17-13+
InChIKeyNEIBNRSJJAABFH-GHRIWEEISA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide (CID 56506728) is (E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide is O=C(/C=C(\c1ccccc1)C(F)(F)F)N(C1CCCCC1)C1CC1.
What is the InChIKey of (E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide?
The InChIKey is NEIBNRSJJAABFH-GHRIWEEISA-N. The full InChI is InChI=1S/C19H22F3NO/c20-19(21,22)17(14-7-3-1-4-8-14)13-18(24)23(16-11-12-16)15-9-5-2-6-10-15/h1,3-4,7-8,13,15-16H,2,5-6,9-12H2/b17-13+.
What are the key properties of (E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide?
(E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide has a molecular weight of 337.38 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-N-cyclopropyl-4,4,4-trifluoro-3-phenylbut-2-enamide is sourced from PubChem (CID 56506728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).