2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide

C26H24N2O3 — CID 21375434

IUPAC2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(/C=C(/C#N)c2ccc(C)cc2)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H24N2O3/c1-18-7-11-20(12-8-18)22(16-27)15-21-5-4-6-24(30-3)26(21)31-17-25(29)28-23-13-9-19(2)10-14-23/h4-15H,17H2,1-3H3,(H,28,29)/b22-15-
InChIKeyIBJJPGDPKMGRIF-JCMHNJIXSA-N
MW412.49 g/mol
LogP5.39
Rot. Bonds7

About 2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide

2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 21375434) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID21375434
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(/C=C(/C#N)c2ccc(C)cc2)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H24N2O3/c1-18-7-11-20(12-8-18)22(16-27)15-21-5-4-6-24(30-3)26(21)31-17-25(29)28-23-13-9-19(2)10-14-23/h4-15H,17H2,1-3H3,(H,28,29)/b22-15-
InChIKeyIBJJPGDPKMGRIF-JCMHNJIXSA-N
XLogP5.39
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.39
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-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 21375431
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374748
2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 45371710
2-[2-chloro-4-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 3894012
2-[2-bromo-4-[(E)-2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126375857
4-[1-cyano-2-[2-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]ethenyl]benzoic acid
CID 3905036
2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 3822178
2-[2-chloro-4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 21375425
2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide
CID 21375367
2-[2-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 1290809
2-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 1290810

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 21375434) is 2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide is COc1cccc(/C=C(/C#N)c2ccc(C)cc2)c1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is IBJJPGDPKMGRIF-JCMHNJIXSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-18-7-11-20(12-8-18)22(16-27)15-21-5-4-6-24(30-3)26(21)31-17-25(29)28-23-13-9-19(2)10-14-23/h4-15H,17H2,1-3H3,(H,28,29)/b22-15-.
What are the key properties of 2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 21375434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).