(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide

C18H16N2O — CID 132546388

IUPAC(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide
SMILESCN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O/c1-20(2)18(21)17(13-19)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3/b17-12+
InChIKeyWQMAKGXYPIUDDG-SFQUDFHCSA-N
MW276.34 g/mol
LogP3.35
Rot. Bonds3

About (E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide

(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide (PubChem CID 132546388) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide
PubChem CID132546388
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide
SMILESCN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O/c1-20(2)18(21)17(13-19)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3/b17-12+
InChIKeyWQMAKGXYPIUDDG-SFQUDFHCSA-N
XLogP3.35
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
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

2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 5375025
4,4-dimethyl-3-oxo-2-[(4-phenylphenyl)methylidene]pentanenitrile
CID 4797225
N-carbamoyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
CID 73380544
(E)-2-(2-fluorobenzoyl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 9337068
(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
CID 2095128
N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
CID 5014584
2-cyano-3-(4-phenylphenyl)-N-[(4-phenylphenyl)methylideneamino]prop-2-enamide
CID 4564654
(E)-2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
CID 5388631
ethyl 4-[(E)-2-cyano-3-(4-phenylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7927654
(Z)-2-cyano-3-[4-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenyl]prop-2-enoic acid
CID 177497739
4-[[(E)-2-cyano-3-(4-phenylphenyl)prop-2-enoyl]amino]benzoic acid
CID 7912222

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide (CID 132546388) is (E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide is CN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide?
The InChIKey is WQMAKGXYPIUDDG-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H16N2O/c1-20(2)18(21)17(13-19)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3/b17-12+.
What are the key properties of (E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide?
(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide has a molecular weight of 276.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 132546388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).