(3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide

C14H16F3NO2 — CID 144747665

IUPAC(3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOC(F)(F)F)c(C)/c1=C/C
InChIInChI=1S/C14H16F3NO2/c1-4-11-9(2)5-6-12(10(11)3)13(19)18-7-8-20-14(15,16)17/h4-6H,2,7-8H2,1,3H3,(H,18,19)/b11-4+
InChIKeyDIKCRAOIQDYDPF-NYYWCZLTSA-N
MW287.28 g/mol
LogP1.47
Rot. Bonds4

About (3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide

(3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747665) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747665
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOC(F)(F)F)c(C)/c1=C/C
InChIInChI=1S/C14H16F3NO2/c1-4-11-9(2)5-6-12(10(11)3)13(19)18-7-8-20-14(15,16)17/h4-6H,2,7-8H2,1,3H3,(H,18,19)/b11-4+
InChIKeyDIKCRAOIQDYDPF-NYYWCZLTSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747277
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747390
(3S,4R)-3-ethyl-4-fluoro-N-(2-hydroxyethyl)cyclohexa-1,5-diene-1-carboxamide
CID 167046954
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 60730454
1-[3-(2-Methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279698
1-[4-(2-Methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279870
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 113773101
(3E)-2-methyl-4-methylidene-3-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747270
(3E)-N-[2-(2-fluoroethoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747355
(3Z)-3-butylidene-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 144747373
(3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747655
(3Z)-3-ethylidene-2-methyl-4-methylimino-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 145584430

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide (CID 144747665) is (3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCCOC(F)(F)F)c(C)/c1=C/C.
What is the InChIKey of (3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is DIKCRAOIQDYDPF-NYYWCZLTSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-4-11-9(2)5-6-12(10(11)3)13(19)18-7-8-20-14(15,16)17/h4-6H,2,7-8H2,1,3H3,(H,18,19)/b11-4+.
What are the key properties of (3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide?
(3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).