1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide

C21H22N2O3 — CID 108981261

IUPAC1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(C(=O)Nc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H22N2O3/c1-13-4-9-18(14(2)12-13)23-20(26)21(10-11-21)19(25)22-17-7-5-16(6-8-17)15(3)24/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMRPYIQOYOSYDRS-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.86
Rot. Bonds5

About 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981261) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981261
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(C(=O)Nc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H22N2O3/c1-13-4-9-18(14(2)12-13)23-20(26)21(10-11-21)19(25)22-17-7-5-16(6-8-17)15(3)24/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMRPYIQOYOSYDRS-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-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'-(2,4-dimethylphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981229
1-N-(3-chloro-4-fluorophenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981242
N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967830
1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980933
1-N'-(2,6-dichlorophenyl)-1-N-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981286
1-N-(2,4-dimethylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108981295
1-N-(4-bromophenyl)-1-N'-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981325
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983456
methyl 4-[[1-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982108
1-N'-(2,4-dimethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971263
1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979061

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981261) is 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide is CC(=O)c1ccc(NC(=O)C2(C(=O)Nc3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is MRPYIQOYOSYDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-4-9-18(14(2)12-13)23-20(26)21(10-11-21)19(25)22-17-7-5-16(6-8-17)15(3)24/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).