N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide

C23H22N2O — CID 139612240

IUPACN-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
SMILESCc1ccccc1Nc1cccc(NC(=O)C=Cc2ccccc2)c1C
InChIInChI=1S/C23H22N2O/c1-17-9-6-7-12-20(17)24-21-13-8-14-22(18(21)2)25-23(26)16-15-19-10-4-3-5-11-19/h3-16,24H,1-2H3,(H,25,26)
InChIKeyGMDCWNVZXOLYKM-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.70
Rot. Bonds5

About N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide

N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide (PubChem CID 139612240) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
PubChem CID139612240
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
SMILESCc1ccccc1Nc1cccc(NC(=O)C=Cc2ccccc2)c1C
InChIInChI=1S/C23H22N2O/c1-17-9-6-7-12-20(17)24-21-13-8-14-22(18(21)2)25-23(26)16-15-19-10-4-3-5-11-19/h3-16,24H,1-2H3,(H,25,26)
InChIKeyGMDCWNVZXOLYKM-UHFFFAOYSA-N
XLogP5.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.70
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

ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
N-[(2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786683
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
4-[(E)-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061980
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide (CID 139612240) is N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide is Cc1ccccc1Nc1cccc(NC(=O)C=Cc2ccccc2)c1C.
What is the InChIKey of N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide?
The InChIKey is GMDCWNVZXOLYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-17-9-6-7-12-20(17)24-21-13-8-14-22(18(21)2)25-23(26)16-15-19-10-4-3-5-11-19/h3-16,24H,1-2H3,(H,25,26).
What are the key properties of N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide?
N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide has a molecular weight of 342.44 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 139612240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).