(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide

C17H14N2O — CID 917674

IUPAC(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H14N2O/c1-13-2-4-14(5-3-13)8-11-17(20)19-16-9-6-15(12-18)7-10-16/h2-11H,1H3,(H,19,20)/b11-8+
InChIKeyHBRRNGMHZBHETA-DHZHZOJOSA-N
MW262.31 g/mol
LogP3.52
Rot. Bonds3

About (E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 917674) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID917674
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H14N2O/c1-13-2-4-14(5-3-13)8-11-17(20)19-16-9-6-15(12-18)7-10-16/h2-11H,1H3,(H,19,20)/b11-8+
InChIKeyHBRRNGMHZBHETA-DHZHZOJOSA-N
XLogP3.52
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-cyanophenyl)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134131212
N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 9164572
(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9096818
(E)-3-(4-cyanophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 26746912
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
(E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 43540424
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 7265065
3-(4-acetamidophenyl)-N-[4-(4-cyanophenoxy)-2-methylphenyl]prop-2-enamide
CID 76869742
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3903026

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide (CID 917674) is (E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of (E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is HBRRNGMHZBHETA-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-2-4-14(5-3-13)8-11-17(20)19-16-9-6-15(12-18)7-10-16/h2-11H,1H3,(H,19,20)/b11-8+.
What are the key properties of (E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 262.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 917674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).