5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide

C15H25F3N2O — CID 89214853

IUPAC5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide
SMILESC/C=C(NC(=O)CCCCNC)\C(C)=C/C(C)C(F)(F)F
InChIInChI=1S/C15H25F3N2O/c1-5-13(11(2)10-12(3)15(16,17)18)20-14(21)8-6-7-9-19-4/h5,10,12,19H,6-9H2,1-4H3,(H,20,21)/b11-10-,13-5+
InChIKeyUNMDIWDUBWQAFV-RUOUNYFASA-N
MW306.37 g/mol
LogP3.54
Rot. Bonds8

About 5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide

5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide (PubChem CID 89214853) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide.

Molecular Properties

Compound Name5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide
PubChem CID89214853
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide
SMILESC/C=C(NC(=O)CCCCNC)\C(C)=C/C(C)C(F)(F)F
InChIInChI=1S/C15H25F3N2O/c1-5-13(11(2)10-12(3)15(16,17)18)20-14(21)8-6-7-9-19-4/h5,10,12,19H,6-9H2,1-4H3,(H,20,21)/b11-10-,13-5+
InChIKeyUNMDIWDUBWQAFV-RUOUNYFASA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide?
The IUPAC name of 5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide (CID 89214853) is 5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide.
What is the SMILES notation for 5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide?
The canonical SMILES for 5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide is C/C=C(NC(=O)CCCCNC)\C(C)=C/C(C)C(F)(F)F.
What is the InChIKey of 5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide?
The InChIKey is UNMDIWDUBWQAFV-RUOUNYFASA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-5-13(11(2)10-12(3)15(16,17)18)20-14(21)8-6-7-9-19-4/h5,10,12,19H,6-9H2,1-4H3,(H,20,21)/b11-10-,13-5+.
What are the key properties of 5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide?
5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide has a molecular weight of 306.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4,6-dimethylhepta-2,4-dien-3-yl]pentanamide is sourced from PubChem (CID 89214853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).