(E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide

C25H22N2O — CID 139259162

IUPAC(E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide
SMILESCc1cc(C)c(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)c(C#N)c1
InChIInChI=1S/C25H22N2O/c1-19-15-20(2)25(23(16-19)17-26)27(18-22-11-7-4-8-12-22)24(28)14-13-21-9-5-3-6-10-21/h3-16H,18H2,1-2H3/b14-13+
InChIKeyNQMZEAMVOZLVKE-BUHFOSPRSA-N
MW366.46 g/mol
LogP5.42
Rot. Bonds5

About (E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide

(E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide (PubChem CID 139259162) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide
PubChem CID139259162
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name(E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide
SMILESCc1cc(C)c(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)c(C#N)c1
InChIInChI=1S/C25H22N2O/c1-19-15-20(2)25(23(16-19)17-26)27(18-22-11-7-4-8-12-22)24(28)14-13-21-9-5-3-6-10-21/h3-16H,18H2,1-2H3/b14-13+
InChIKeyNQMZEAMVOZLVKE-BUHFOSPRSA-N
XLogP5.42
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-benzyl-N-(2-diphenylphosphoryl-4,6-dimethylphenyl)but-2-enamide
CID 102436121
(E)-N-benzyl-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46056577
N-benzyl-N-(2,4-dimethyl-6-phenylphenyl)acetamide
CID 101422179
N-[3-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 71957911
N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
CID 170993459
(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide
CID 92896876
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 71957751
(E)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 41110090
(E)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-phenylprop-2-enamide
CID 7998169
(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 42859330

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide (CID 139259162) is (E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide is Cc1cc(C)c(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)c(C#N)c1.
What is the InChIKey of (E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide?
The InChIKey is NQMZEAMVOZLVKE-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H22N2O/c1-19-15-20(2)25(23(16-19)17-26)27(18-22-11-7-4-8-12-22)24(28)14-13-21-9-5-3-6-10-21/h3-16H,18H2,1-2H3/b14-13+.
What are the key properties of (E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide?
(E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide has a molecular weight of 366.46 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-(2-cyano-4,6-dimethylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 139259162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).