2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide

C24H20N2O3 — CID 3822178

IUPAC2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(C=C(C#N)c2ccccc2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H20N2O3/c1-28-23-15-18(14-20(16-25)19-8-4-2-5-9-19)12-13-22(23)29-17-24(27)26-21-10-6-3-7-11-21/h2-15H,17H2,1H3,(H,26,27)
InChIKeyIDIDPTGWTDTJSP-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.78
Rot. Bonds7

About 2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide

2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide (PubChem CID 3822178) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide
PubChem CID3822178
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(C=C(C#N)c2ccccc2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H20N2O3/c1-28-23-15-18(14-20(16-25)19-8-4-2-5-9-19)12-13-22(23)29-17-24(27)26-21-10-6-3-7-11-21/h2-15H,17H2,1H3,(H,26,27)
InChIKeyIDIDPTGWTDTJSP-UHFFFAOYSA-N
XLogP4.78
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-cyano-2-(2-fluorophenyl)ethenyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 3671106
2-[4-[(E)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 135782573
3-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-2-cyano-N-naphthalen-2-ylprop-2-enamide
CID 4710809
2-[4-[(E)-2-cyano-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethenyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 18824010
2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 783087
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 7126688
[4-[(Z)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] benzoate
CID 19170622
2-cyano-3-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-N-phenylprop-2-enamide
CID 3929011
2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18532266
[4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] 2-(2,6-dimethylphenoxy)acetate
CID 23987837
[4-[(Z)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] 2-(2,6-dimethylphenoxy)acetate
CID 19170662
2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide
CID 21375367

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide (CID 3822178) is 2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide is COc1cc(C=C(C#N)c2ccccc2)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide?
The InChIKey is IDIDPTGWTDTJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-28-23-15-18(14-20(16-25)19-8-4-2-5-9-19)12-13-22(23)29-17-24(27)26-21-10-6-3-7-11-21/h2-15H,17H2,1H3,(H,26,27).
What are the key properties of 2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide?
2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 384.44 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 3822178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).