4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C24H22N2O2 — CID 6147985

IUPAC4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C24H22N2O2/c1-17-12-14-20(15-13-17)23(27)26-22(16-19-9-4-3-5-10-19)24(28)25-21-11-7-6-8-18(21)2/h3-16H,1-2H3,(H,25,28)(H,26,27)/b22-16+
InChIKeyKQFCXSIBHVRJEY-CJLVFECKSA-N
MW370.45 g/mol
LogP4.71
Rot. Bonds5

About 4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 6147985) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID6147985
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C24H22N2O2/c1-17-12-14-20(15-13-17)23(27)26-22(16-19-9-4-3-5-10-19)24(28)25-21-11-7-6-8-18(21)2/h3-16H,1-2H3,(H,25,28)(H,26,27)/b22-16+
InChIKeyKQFCXSIBHVRJEY-CJLVFECKSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6060583
N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 4553025
N-[(Z)-3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2186045
N-[1-(2-chlorophenyl)-3-(2-methylanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 1351912
1-N,4-N-bis[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665285
N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 13185213
N-[1-(4-methylphenyl)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-en-2-yl]benzamide
CID 91969774
N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2252632
N-[(Z)-3-[4-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22190138
N-[(Z)-1-(4-bromophenyl)-3-(3-chloro-2-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 46496756
N-[3-(2-methoxyanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-4-methylbenzamide
CID 2858995
N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 7463615

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 6147985) is 4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is KQFCXSIBHVRJEY-CJLVFECKSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-17-12-14-20(15-13-17)23(27)26-22(16-19-9-4-3-5-10-19)24(28)25-21-11-7-6-8-18(21)2/h3-16H,1-2H3,(H,25,28)(H,26,27)/b22-16+.
What are the key properties of 4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 6147985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).