(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C22H25F3N2O — CID 15983688

IUPAC(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(C(CCN(C)C)NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H25F3N2O/c1-16-4-9-18(10-5-16)20(14-15-27(2)3)26-21(28)13-8-17-6-11-19(12-7-17)22(23,24)25/h4-13,20H,14-15H2,1-3H3,(H,26,28)/b13-8+
InChIKeyOMRJBBSDIBHVPT-MDWZMJQESA-N
MW390.45 g/mol
LogP4.84
Rot. Bonds7

About (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 15983688) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID15983688
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(C(CCN(C)C)NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H25F3N2O/c1-16-4-9-18(10-5-16)20(14-15-27(2)3)26-21(28)13-8-17-6-11-19(12-7-17)22(23,24)25/h4-13,20H,14-15H2,1-3H3,(H,26,28)/b13-8+
InChIKeyOMRJBBSDIBHVPT-MDWZMJQESA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
N-Benzylcinnamamide
CID 910211
(2E)-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 5720182
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
N-Benzyl-3-(4-phenyl-1,2,3,6-tetrahydropyridino)-propionamide
CID 285516
N-Benzhydrylacetamide
CID 614461
3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901493
N-(4-Dipropylaminobutyl)-4-biphenylcarboxamide
CID 25139332
N-((1S)-3-(4-(N-ethyl-2-(4-(trifluoromethyl)phenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590634

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 15983688) is (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccc(C(CCN(C)C)NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is OMRJBBSDIBHVPT-MDWZMJQESA-N. The full InChI is InChI=1S/C22H25F3N2O/c1-16-4-9-18(10-5-16)20(14-15-27(2)3)26-21(28)13-8-17-6-11-19(12-7-17)22(23,24)25/h4-13,20H,14-15H2,1-3H3,(H,26,28)/b13-8+.
What are the key properties of (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 390.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 15983688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).