2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide

C24H20N2O2 — CID 21375367

IUPAC2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C24H20N2O2/c1-18-7-11-20(12-8-18)21(16-25)15-19-9-13-23(14-10-19)28-17-24(27)26-22-5-3-2-4-6-22/h2-15H,17H2,1H3,(H,26,27)/b21-15-
InChIKeyNVNSDDCHDBMAJQ-QNGOZBTKSA-N
MW368.44 g/mol
LogP5.08
Rot. Bonds6

About 2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide

2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide (PubChem CID 21375367) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide
PubChem CID21375367
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C24H20N2O2/c1-18-7-11-20(12-8-18)21(16-25)15-19-9-13-23(14-10-19)28-17-24(27)26-22-5-3-2-4-6-22/h2-15H,17H2,1H3,(H,26,27)/b21-15-
InChIKeyNVNSDDCHDBMAJQ-QNGOZBTKSA-N
XLogP5.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
ethyl (E)-3-[4-(2-anilino-2-oxoethoxy)phenyl]-2-cyanoprop-2-enoate
CID 1105528
2-[2-chloro-4-[(Z)-2-cyano-2-(4-methylphenyl)ethenyl]-6-ethoxyphenoxy]-N-phenylacetamide
CID 124652556
2-[2-chloro-4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-ethoxyphenoxy]-N-phenylacetamide
CID 21375424
2-[4-[(Z)-1-cyano-2-phenylethenyl]phenoxy]acetic acid
CID 156772109
3-[4-[4-[(Z)-1-cyano-2-(4-methylphenyl)ethenyl]phenyl]triazol-1-yl]-N-phenylpropanamide
CID 142735796
2-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 3822178
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
(E)-N-(2-chlorophenyl)-2-cyano-3-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126232336
2-[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenoxy]acetic acid
CID 92939823
2-[4-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2983769
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide (CID 21375367) is 2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide is Cc1ccc(/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide?
The InChIKey is NVNSDDCHDBMAJQ-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-18-7-11-20(12-8-18)21(16-25)15-19-9-13-23(14-10-19)28-17-24(27)26-22-5-3-2-4-6-22/h2-15H,17H2,1H3,(H,26,27)/b21-15-.
What are the key properties of 2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide?
2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide has a molecular weight of 368.44 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 21375367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).