(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide

C19H17N3O2 — CID 7911783

IUPAC(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H17N3O2/c1-13-3-7-18(8-4-13)22-19(24)16(12-20)11-15-5-9-17(10-6-15)21-14(2)23/h3-11H,1-2H3,(H,21,23)(H,22,24)/b16-11+
InChIKeyBEXITQFNYJNRIN-LFIBNONCSA-N
MW319.36 g/mol
LogP3.50
Rot. Bonds4

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

(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide (PubChem CID 7911783) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
PubChem CID7911783
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H17N3O2/c1-13-3-7-18(8-4-13)22-19(24)16(12-20)11-15-5-9-17(10-6-15)21-14(2)23/h3-11H,1-2H3,(H,21,23)(H,22,24)/b16-11+
InChIKeyBEXITQFNYJNRIN-LFIBNONCSA-N
XLogP3.50
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
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)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 7265065
4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]benzoic acid
CID 957163
3-(4-tert-butylphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 4542593
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 2378159
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
(E)-2-cyano-N-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 166404392
(E)-3-(4-acetamidophenyl)-2-cyano-N-(2,6-dichlorophenyl)prop-2-enamide
CID 7912146
(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
CID 730579
3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 5241148
3-[[2-cyano-3-(4-methylphenyl)prop-2-enoyl]amino]benzoic acid
CID 3488338
2-cyano-3-(3,4-diethoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 75895568

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide (CID 7911783) is (E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide is CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is BEXITQFNYJNRIN-LFIBNONCSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-3-7-18(8-4-13)22-19(24)16(12-20)11-15-5-9-17(10-6-15)21-14(2)23/h3-11H,1-2H3,(H,21,23)(H,22,24)/b16-11+.
What are the key properties of (E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide?
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 7911783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).