(2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide

C22H31F3N2O — CID 143534031

IUPAC(2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide
SMILESC=C/C(=C\C(=C/CC)\C(=C\C(=C)C(F)(F)F)N(C)C1CCCC1)C(=O)N(C)C
InChIInChI=1S/C22H31F3N2O/c1-7-11-18(15-17(8-2)21(28)26(4)5)20(14-16(3)22(23,24)25)27(6)19-12-9-10-13-19/h8,11,14-15,19H,2-3,7,9-10,12-13H2,1,4-6H3/b17-15+,18-11+,20-14-
InChIKeyJVSVEGQDWYBZJV-FQEAKDOPSA-N
MW396.50 g/mol
LogP5.40
Rot. Bonds8

About (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide

(2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide (PubChem CID 143534031) has the molecular formula C22H31F3N2O and a molecular weight of 396.50 g/mol. Its IUPAC name is (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide.

Molecular Properties

Compound Name(2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide
PubChem CID143534031
Molecular FormulaC22H31F3N2O
Molecular Weight396.50 g/mol
Exact Mass396.24
IUPAC Name(2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide
SMILESC=C/C(=C\C(=C/CC)\C(=C\C(=C)C(F)(F)F)N(C)C1CCCC1)C(=O)N(C)C
InChIInChI=1S/C22H31F3N2O/c1-7-11-18(15-17(8-2)21(28)26(4)5)20(14-16(3)22(23,24)25)27(6)19-12-9-10-13-19/h8,11,14-15,19H,2-3,7,9-10,12-13H2,1,4-6H3/b17-15+,18-11+,20-14-
InChIKeyJVSVEGQDWYBZJV-FQEAKDOPSA-N
XLogP5.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1Z)-1-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-methylamino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylcyclohepta-1,3,6-triene-1-carboxamide
CID 143533929

Frequently Asked Questions

What is the IUPAC name of (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide?
The IUPAC name of (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide (CID 143534031) is (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide.
What is the SMILES notation for (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide?
The canonical SMILES for (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide is C=C/C(=C\C(=C/CC)\C(=C\C(=C)C(F)(F)F)N(C)C1CCCC1)C(=O)N(C)C.
What is the InChIKey of (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide?
The InChIKey is JVSVEGQDWYBZJV-FQEAKDOPSA-N. The full InChI is InChI=1S/C22H31F3N2O/c1-7-11-18(15-17(8-2)21(28)26(4)5)20(14-16(3)22(23,24)25)27(6)19-12-9-10-13-19/h8,11,14-15,19H,2-3,7,9-10,12-13H2,1,4-6H3/b17-15+,18-11+,20-14-.
What are the key properties of (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide?
(2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide has a molecular weight of 396.50 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,5Z)-5-[cyclopentyl(methyl)amino]-2-ethenyl-N,N-dimethyl-4-propylidene-7-(trifluoromethyl)octa-2,5,7-trienamide is sourced from PubChem (CID 143534031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).