(E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C21H30F3NO — CID 5353236

IUPAC(E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCCCCCCCCCN(C)C(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H30F3NO/c1-3-4-5-6-7-8-9-10-16-25(2)20(26)15-14-18-12-11-13-19(17-18)21(22,23)24/h11-15,17H,3-10,16H2,1-2H3/b15-14+
InChIKeyZMGRFNXTKZZOBA-CCEZHUSRSA-N
MW369.47 g/mol
LogP6.32
Rot. Bonds11

About (E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 5353236) has the molecular formula C21H30F3NO and a molecular weight of 369.47 g/mol. Its IUPAC name is (E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID5353236
Molecular FormulaC21H30F3NO
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name(E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCCCCCCCCCN(C)C(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H30F3NO/c1-3-4-5-6-7-8-9-10-16-25(2)20(26)15-14-18-12-11-13-19(17-18)21(22,23)24/h11-15,17H,3-10,16H2,1-2H3/b15-14+
InChIKeyZMGRFNXTKZZOBA-CCEZHUSRSA-N
XLogP6.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 5353236) is (E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is CCCCCCCCCCN(C)C(=O)/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ZMGRFNXTKZZOBA-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H30F3NO/c1-3-4-5-6-7-8-9-10-16-25(2)20(26)15-14-18-12-11-13-19(17-18)21(22,23)24/h11-15,17H,3-10,16H2,1-2H3/b15-14+.
What are the key properties of (E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 369.47 g/mol, XLogP of 6.32, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 5353236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).