(E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide

C16H20F3NO — CID 56531150

IUPAC(E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H20F3NO/c1-15(2,3)11-20(12-16(17,18)19)14(21)10-9-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/b10-9+
InChIKeyCFTXKNXUVGIPCT-MDZDMXLPSA-N
MW299.34 g/mol
LogP4.14
Rot. Bonds4

About (E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide

(E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 56531150) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is (E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID56531150
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name(E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H20F3NO/c1-15(2,3)11-20(12-16(17,18)19)14(21)10-9-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/b10-9+
InChIKeyCFTXKNXUVGIPCT-MDZDMXLPSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.14
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)-3-[2-(difluoromethoxy)phenyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 56531211
N-(2,2-dimethylpropyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56531034
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 56531461
(E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78858681
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 56531135
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
(E)-N-(2,2-dimethylpropyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 56531253
2-[3-(2-fluorophenyl)prop-2-enoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78989745
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid
CID 76949889
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 56531150) is (E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide is CC(C)(C)CN(CC(F)(F)F)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is CFTXKNXUVGIPCT-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-15(2,3)11-20(12-16(17,18)19)14(21)10-9-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/b10-9+.
What are the key properties of (E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
(E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 299.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-dimethylpropyl)-3-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 56531150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).