2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile

C19H20N2O — CID 23735166

IUPAC2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile
SMILESCOc1ccc(NC(C#N)=Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H20N2O/c1-14(2)16-6-4-15(5-7-16)12-18(13-20)21-17-8-10-19(22-3)11-9-17/h4-12,14,21H,1-3H3
InChIKeyJYZWLMZTHKCAMX-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.80
Rot. Bonds5

About 2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile

2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile (PubChem CID 23735166) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile
PubChem CID23735166
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile
SMILESCOc1ccc(NC(C#N)=Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H20N2O/c1-14(2)16-6-4-15(5-7-16)12-18(13-20)21-17-8-10-19(22-3)11-9-17/h4-12,14,21H,1-3H3
InChIKeyJYZWLMZTHKCAMX-UHFFFAOYSA-N
XLogP4.80
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-2-(4-methoxyanilino)prop-2-enenitrile
CID 23848435
2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4983165
(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
CID 730579
(4-propan-2-ylphenyl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 7506388
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2405063
(E)-N-[(4-methoxyphenyl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 45006533
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 99117795
(E)-2-cyano-N-(4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 19168661
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 4253817
4-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)benzamide
CID 16651154

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile?
The IUPAC name of 2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile (CID 23735166) is 2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile.
What is the SMILES notation for 2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile?
The canonical SMILES for 2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile is COc1ccc(NC(C#N)=Cc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile?
The InChIKey is JYZWLMZTHKCAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(2)16-6-4-15(5-7-16)12-18(13-20)21-17-8-10-19(22-3)11-9-17/h4-12,14,21H,1-3H3.
What are the key properties of 2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile?
2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile has a molecular weight of 292.38 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile is sourced from PubChem (CID 23735166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).