(Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide

C22H34F3NO — CID 155356631

IUPAC(Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide
SMILESC=C(/C=C\C(=C/CCCC)C(CCC(=O)NC1CC1)C(F)(F)F)CCCC
InChIInChI=1S/C22H34F3NO/c1-4-6-8-10-18(12-11-17(3)9-7-5-2)20(22(23,24)25)15-16-21(27)26-19-13-14-19/h10-12,19-20H,3-9,13-16H2,1-2H3,(H,26,27)/b12-11-,18-10+
InChIKeyYMMUIGWBCZUFMK-CEPIEQERSA-N
MW385.51 g/mol
LogP6.64
Rot. Bonds13

About (Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide

(Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide (PubChem CID 155356631) has the molecular formula C22H34F3NO and a molecular weight of 385.51 g/mol. Its IUPAC name is (Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide.

Molecular Properties

Compound Name(Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide
PubChem CID155356631
Molecular FormulaC22H34F3NO
Molecular Weight385.51 g/mol
Exact Mass385.26
IUPAC Name(Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide
SMILESC=C(/C=C\C(=C/CCCC)C(CCC(=O)NC1CC1)C(F)(F)F)CCCC
InChIInChI=1S/C22H34F3NO/c1-4-6-8-10-18(12-11-17(3)9-7-5-2)20(22(23,24)25)15-16-21(27)26-19-13-14-19/h10-12,19-20H,3-9,13-16H2,1-2H3,(H,26,27)/b12-11-,18-10+
InChIKeyYMMUIGWBCZUFMK-CEPIEQERSA-N
XLogP6.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 70892604
2-(3-aminopropyl)-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-4-enamide
CID 89073749
N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide
CID 90693715
2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide
CID 123711811
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
N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]cyclohexa-2,4-diene-1-carboxamide
CID 144605400
acetylene;(4E,6Z)-N-[(3Z,5Z)-3-[(Z)-but-1-enyl]-4-ethylhepta-3,5-dien-2-yl]-4-methyl-8-(trifluoromethyl)nona-4,6,8-trienamide
CID 145481802
(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
2-[(3Z,5E,8E)-5-fluoro-2-methyl-2,7-dihydro-1H-azonin-8-yl]-N-(3-methylbut-3-en-2-yl)cyclopropane-1-carboxamide
CID 146537233
(Z,3E)-3-butylidene-2-cyclopropyl-6-methylidene-N-(2,2,2-trifluoroethyl)non-4-enamide
CID 155356783

Frequently Asked Questions

What is the IUPAC name of (Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide?
The IUPAC name of (Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide (CID 155356631) is (Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide.
What is the SMILES notation for (Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide?
The canonical SMILES for (Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide is C=C(/C=C\C(=C/CCCC)C(CCC(=O)NC1CC1)C(F)(F)F)CCCC.
What is the InChIKey of (Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide?
The InChIKey is YMMUIGWBCZUFMK-CEPIEQERSA-N. The full InChI is InChI=1S/C22H34F3NO/c1-4-6-8-10-18(12-11-17(3)9-7-5-2)20(22(23,24)25)15-16-21(27)26-19-13-14-19/h10-12,19-20H,3-9,13-16H2,1-2H3,(H,26,27)/b12-11-,18-10+.
What are the key properties of (Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide?
(Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide has a molecular weight of 385.51 g/mol, XLogP of 6.64, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide is sourced from PubChem (CID 155356631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).