(E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide

C19H18N2O — CID 698848

IUPAC(E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H18N2O/c1-13-5-8-16(9-6-13)11-17(12-20)19(22)21-18-10-14(2)4-7-15(18)3/h4-11H,1-3H3,(H,21,22)/b17-11+
InChIKeyCUMUFXDTQMLOHG-GZTJUZNOSA-N
MW290.37 g/mol
LogP4.16
Rot. Bonds3

About (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide

(E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 698848) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID698848
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H18N2O/c1-13-5-8-16(9-6-13)11-17(12-20)19(22)21-18-10-14(2)4-7-15(18)3/h4-11H,1-3H3,(H,21,22)/b17-11+
InChIKeyCUMUFXDTQMLOHG-GZTJUZNOSA-N
XLogP4.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-Dimethylphenyl)acetamide
CID 16304
N,N'-DI(O-Tolyl)oxamide
CID 223396
Cinnamanilide
CID 690158
(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
CID 54727972
Propanamide, N-(3-methylphenyl)-3-phenyl-
CID 532827
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
N-(2-methylphenyl)prop-2-enamide
CID 3690178
3-methylquinolin-2(1H)-one
CID 440987
(E)-3-(4-tert-Butyl-phenyl)-N-phenyl-acrylamide
CID 5885566
7-(2-Fluorophenyl)-4-Methylquinolin-2(1h)-One
CID 71576800
4-butyl-N-phenylbenzamide
CID 44450366
N1,N3-Bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide (CID 698848) is (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is CUMUFXDTQMLOHG-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-5-8-16(9-6-13)11-17(12-20)19(22)21-18-10-14(2)4-7-15(18)3/h4-11H,1-3H3,(H,21,22)/b17-11+.
What are the key properties of (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 290.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 698848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).