1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

C21H22N2O3 — CID 109135543

IUPAC1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC2C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H22N2O3/c1-13-3-5-15(6-4-13)12-22-20(25)18-11-19(18)21(26)23-17-9-7-16(8-10-17)14(2)24/h3-10,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyYWDMUOVYACQUGX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.09
Rot. Bonds6

About 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135543) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135543
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC2C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H22N2O3/c1-13-3-5-15(6-4-13)12-22-20(25)18-11-19(18)21(26)23-17-9-7-16(8-10-17)14(2)24/h3-10,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyYWDMUOVYACQUGX-UHFFFAOYSA-N
XLogP3.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(4-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135518
1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135500
1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135550
1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135544
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138655
methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109136126
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516
1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130958
2-N-benzyl-1-N-(4-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135067

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109135543) is 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is CC(=O)c1ccc(NC(=O)C2CC2C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is YWDMUOVYACQUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-3-5-15(6-4-13)12-22-20(25)18-11-19(18)21(26)23-17-9-7-16(8-10-17)14(2)24/h3-10,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).