(Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide

C19H28F3NO — CID 155356783

IUPAC(Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide
SMILESC=C(/C=C\C(=C/CCC)C(C(=O)NCC(F)(F)F)C1CC1)CCC
InChIInChI=1S/C19H28F3NO/c1-4-6-8-15(10-9-14(3)7-5-2)17(16-11-12-16)18(24)23-13-19(20,21)22/h8-10,16-17H,3-7,11-13H2,1-2H3,(H,23,24)/b10-9-,15-8+
InChIKeyKNRICFYFYGONEZ-JQTXPAQKSA-N
MW343.43 g/mol
LogP5.33
Rot. Bonds10

About (Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide

(Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide (PubChem CID 155356783) has the molecular formula C19H28F3NO and a molecular weight of 343.43 g/mol. Its IUPAC name is (Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide.

Molecular Properties

Compound Name(Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide
PubChem CID155356783
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC Name(Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide
SMILESC=C(/C=C\C(=C/CCC)C(C(=O)NCC(F)(F)F)C1CC1)CCC
InChIInChI=1S/C19H28F3NO/c1-4-6-8-15(10-9-14(3)7-5-2)17(16-11-12-16)18(24)23-13-19(20,21)22/h8-10,16-17H,3-7,11-13H2,1-2H3,(H,23,24)/b10-9-,15-8+
InChIKeyKNRICFYFYGONEZ-JQTXPAQKSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylarachidonoyl-(2'-fluoroethyl)amide
CID 5283437
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 51112591
N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide
CID 3318
N-(3,7-dimethyloct-6-enyl)-2,2,2-trifluoroacetamide
CID 12523880
2-(3-aminopropyl)-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-4-enamide
CID 89073749
N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 133575565
N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide
CID 136500989
N-[[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-2-cyclopropylpent-4-enamide
CID 142892629
2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide
CID 142901934
5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide
CID 144605395
(E,2S,5R)-N-[(2R,4Z,5Z)-4-ethylideneocta-5,7-dien-2-yl]-5,6,7-trifluoro-7-iodo-2-methylhept-6-enamide
CID 146239602
CID 148209095
CID 148209095

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide?
The IUPAC name of (Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide (CID 155356783) is (Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide.
What is the SMILES notation for (Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide?
The canonical SMILES for (Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide is C=C(/C=C\C(=C/CCC)C(C(=O)NCC(F)(F)F)C1CC1)CCC.
What is the InChIKey of (Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide?
The InChIKey is KNRICFYFYGONEZ-JQTXPAQKSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-4-6-8-15(10-9-14(3)7-5-2)17(16-11-12-16)18(24)23-13-19(20,21)22/h8-10,16-17H,3-7,11-13H2,1-2H3,(H,23,24)/b10-9-,15-8+.
What are the key properties of (Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide?
(Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide has a molecular weight of 343.43 g/mol, XLogP of 5.33, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide is sourced from PubChem (CID 155356783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).