(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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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).