1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

C22H25N3O4 — CID 108983238

IUPAC1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C(=O)Nc3ccccc3OC(C)C)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-14(2)29-19-7-5-4-6-18(19)25-21(28)22(12-13-22)20(27)24-17-10-8-16(9-11-17)23-15(3)26/h4-11,14H,12-13H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyOZDUZYHZMZMRBU-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.79
Rot. Bonds7

About 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983238) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983238
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C(=O)Nc3ccccc3OC(C)C)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-14(2)29-19-7-5-4-6-18(19)25-21(28)22(12-13-22)20(27)24-17-10-8-16(9-11-17)23-15(3)26/h4-11,14H,12-13H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyOZDUZYHZMZMRBU-UHFFFAOYSA-N
XLogP3.79
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)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-[4-(dimethylamino)phenyl]-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983242
1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981252
1-N-butyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971107
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309
1-N-pentyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979800
1-N'-(2-ethylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981717
1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975586
1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983275
1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570
1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982380
1-N-(oxolan-2-ylmethyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973334
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108983238) is 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is CC(=O)Nc1ccc(NC(=O)C2(C(=O)Nc3ccccc3OC(C)C)CC2)cc1.
What is the InChIKey of 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is OZDUZYHZMZMRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(2)29-19-7-5-4-6-18(19)25-21(28)22(12-13-22)20(27)24-17-10-8-16(9-11-17)23-15(3)26/h4-11,14H,12-13H2,1-3H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).