(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide

C18H16N2O3 — CID 19169431

IUPAC(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C18H16N2O3/c1-22-15-8-9-16(17(11-15)23-2)20-18(21)14(12-19)10-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21)/b14-10+
InChIKeyRHBSCLKYBLDCQJ-GXDHUFHOSA-N
MW308.34 g/mol
LogP3.25
Rot. Bonds5

About (E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide

(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide (PubChem CID 19169431) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
PubChem CID19169431
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C18H16N2O3/c1-22-15-8-9-16(17(11-15)23-2)20-18(21)14(12-19)10-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21)/b14-10+
InChIKeyRHBSCLKYBLDCQJ-GXDHUFHOSA-N
XLogP3.25
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-2-cyano-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide
CID 19169774
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1192033
(Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide
CID 20849753
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,4-dimethoxyanilino)prop-2-enamide
CID 108824427
3-(4-chlorophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 3254379
(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 7480752
(E)-2-cyano-3-(2,4-dimethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 50927872
2-cyano-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3701687
methyl 4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2713812
3-(1-benzyl-3-phenylpyrazol-4-yl)-2-cyano-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 4505345
3-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyano-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 4505342

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide (CID 19169431) is (E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide is COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2)c(OC)c1.
What is the InChIKey of (E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is RHBSCLKYBLDCQJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-15-8-9-16(17(11-15)23-2)20-18(21)14(12-19)10-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21)/b14-10+.
What are the key properties of (E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide?
(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 19169431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).