N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide

C24H22N2O2 — CID 17227789

IUPACN-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C24H22N2O2/c1-18-11-13-19(14-12-18)15-16-23(27)25-21-8-6-7-20(17-21)24(28)26(2)22-9-4-3-5-10-22/h3-17H,1-2H3,(H,25,27)/b16-15+
InChIKeyMRQCXHHAQQDMAZ-FOCLMDBBSA-N
MW370.45 g/mol
LogP4.92
Rot. Bonds5

About N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide

N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide (PubChem CID 17227789) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide
PubChem CID17227789
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C24H22N2O2/c1-18-11-13-19(14-12-18)15-16-23(27)25-21-8-6-7-20(17-21)24(28)26(2)22-9-4-3-5-10-22/h3-17H,1-2H3,(H,25,27)/b16-15+
InChIKeyMRQCXHHAQQDMAZ-FOCLMDBBSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.92
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

3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-N-phenylbenzamide
CID 17228047
3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32852031
N,N-dimethyl-3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]benzamide
CID 33159074
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 26158897
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate
CID 732141
3-[3-[methyl(phenyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907328
tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate
CID 46612138
3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 29331413
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide?
The IUPAC name of N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide (CID 17227789) is N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide is Cc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide?
The InChIKey is MRQCXHHAQQDMAZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-18-11-13-19(14-12-18)15-16-23(27)25-21-8-6-7-20(17-21)24(28)26(2)22-9-4-3-5-10-22/h3-17H,1-2H3,(H,25,27)/b16-15+.
What are the key properties of N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide?
N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 17227789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).