(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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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).