(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide

C24H20N2O2 — CID 94841572

IUPAC(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1C
InChIInChI=1S/C24H20N2O2/c1-17-11-12-21(13-18(17)2)26-24(27)20(16-25)14-19-7-6-10-23(15-19)28-22-8-4-3-5-9-22/h3-15H,1-2H3,(H,26,27)/b20-14-
InChIKeyWFNGVMXUOXPZPG-ZHZULCJRSA-N
MW368.44 g/mol
LogP5.64
Rot. Bonds5

About (Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide

(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide (PubChem CID 94841572) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
PubChem CID94841572
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1C
InChIInChI=1S/C24H20N2O2/c1-17-11-12-21(13-18(17)2)26-24(27)20(16-25)14-19-7-6-10-23(15-19)28-22-8-4-3-5-9-22/h3-15H,1-2H3,(H,26,27)/b20-14-
InChIKeyWFNGVMXUOXPZPG-ZHZULCJRSA-N
XLogP5.64
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-2-cyano-3-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-N-phenylprop-2-enamide
CID 126013930
4-[[(Z)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 1280016
3-(3-bromophenyl)-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide
CID 3362257
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 124549283
(Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 124656696
(Z)-2-cyano-3-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 126012692
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 3559677
(E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
CID 877231
2-cyano-N-(3,4-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 839869
(E)-2-benzoyl-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 110191204
(E)-2-cyano-N-(3-iodophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 35559873
[3-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] benzenesulfonate
CID 126077591

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide (CID 94841572) is (Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1C.
What is the InChIKey of (Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The InChIKey is WFNGVMXUOXPZPG-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17-11-12-21(13-18(17)2)26-24(27)20(16-25)14-19-7-6-10-23(15-19)28-22-8-4-3-5-9-22/h3-15H,1-2H3,(H,26,27)/b20-14-.
What are the key properties of (Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide has a molecular weight of 368.44 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 94841572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).