2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C20H20N2O2 — CID 4983165

IUPAC2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H20N2O2/c1-14(2)16-6-4-15(5-7-16)12-17(13-21)20(23)22-18-8-10-19(24-3)11-9-18/h4-12,14H,1-3H3,(H,22,23)
InChIKeyBKNAJTGTXPXPHW-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.36
Rot. Bonds5

About 2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 4983165) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID4983165
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H20N2O2/c1-14(2)16-6-4-15(5-7-16)12-17(13-21)20(23)22-18-8-10-19(24-3)11-9-18/h4-12,14H,1-3H3,(H,22,23)
InChIKeyBKNAJTGTXPXPHW-UHFFFAOYSA-N
XLogP4.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.36
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

(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
CID 730579
(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
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2405063
2-(4-methoxyanilino)-3-(4-propan-2-ylphenyl)prop-2-enenitrile
CID 23735166
2-methylpropyl 4-[[2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1182543
(E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 682401
ethyl 4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 1186603
(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 6034042
2-cyano-3-(4-methoxyphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 2831228
(E)-2-cyano-3-(4-methoxyphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 1115542
(E)-3-(5-bromothiophen-3-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 39051246

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 4983165) is 2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is COc1ccc(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is BKNAJTGTXPXPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(2)16-6-4-15(5-7-16)12-17(13-21)20(23)22-18-8-10-19(24-3)11-9-18/h4-12,14H,1-3H3,(H,22,23).
What are the key properties of 2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 320.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 4983165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).