(Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide

C18H30F3NO — CID 11024099

IUPAC(Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide
SMILESCCCCN(CCCC)C(=O)/C(=C/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C18H30F3NO/c1-3-5-12-22(13-6-4-2)17(23)16(18(19,20)21)14-15-10-8-7-9-11-15/h14-15H,3-13H2,1-2H3/b16-14-
InChIKeyACWGNBNJCGQRCX-PEZBUJJGSA-N
MW333.44 g/mol
LogP5.48
Rot. Bonds8

About (Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide

(Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide (PubChem CID 11024099) has the molecular formula C18H30F3NO and a molecular weight of 333.44 g/mol. Its IUPAC name is (Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide
PubChem CID11024099
Molecular FormulaC18H30F3NO
Molecular Weight333.44 g/mol
Exact Mass333.23
IUPAC Name(Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide
SMILESCCCCN(CCCC)C(=O)/C(=C/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C18H30F3NO/c1-3-5-12-22(13-6-4-2)17(23)16(18(19,20)21)14-15-10-8-7-9-11-15/h14-15H,3-13H2,1-2H3/b16-14-
InChIKeyACWGNBNJCGQRCX-PEZBUJJGSA-N
XLogP5.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.44
LogP ≤ 55.48
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

(Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide
CID 10520811
N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide
CID 10947134
4,4,4-trifluoro-1-(4-pentan-2-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 134375484
(3,3-Difluoropyrrolidin-1-yl)-[4-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]methanone
CID 144885707
(E)-3-cyclohexyl-N,N-diethyl-2-methylprop-2-enamide
CID 11447419
1-Methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one
CID 71737239
(2E)-N,N-diethyl-2,5,9-trimethyldeca-2,8-dienamide
CID 12124212
(Z)-3-cyclohexyl-N,N-diethyl-2-methylprop-2-enamide
CID 139950049
(E)-3-[(2E)-2-butan-2-ylidenecyclohexyl]-N,N-diethyl-2-methylprop-2-enamide
CID 144029787
(E)-3-[(2E)-2-butan-2-ylidenecyclohexyl]-N,N,2-trimethylprop-2-enamide
CID 144029804

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of (Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide (CID 11024099) is (Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for (Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for (Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide is CCCCN(CCCC)C(=O)/C(=C/C1CCCCC1)C(F)(F)F.
What is the InChIKey of (Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is ACWGNBNJCGQRCX-PEZBUJJGSA-N. The full InChI is InChI=1S/C18H30F3NO/c1-3-5-12-22(13-6-4-2)17(23)16(18(19,20)21)14-15-10-8-7-9-11-15/h14-15H,3-13H2,1-2H3/b16-14-.
What are the key properties of (Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide?
(Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 333.44 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 11024099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).