1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide

C21H21N3O4 — CID 108983396

IUPAC1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(C(=O)Nc3cccc(C(C)=O)c3)CC2)c1
InChIInChI=1S/C21H21N3O4/c1-13(25)15-5-3-6-16(11-15)23-19(27)21(9-10-21)20(28)24-18-8-4-7-17(12-18)22-14(2)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyADHDBYRTECJEJF-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.20
Rot. Bonds6

About 1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983396) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983396
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(C(=O)Nc3cccc(C(C)=O)c3)CC2)c1
InChIInChI=1S/C21H21N3O4/c1-13(25)15-5-3-6-16(11-15)23-19(27)21(9-10-21)20(28)24-18-8-4-7-17(12-18)22-14(2)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyADHDBYRTECJEJF-UHFFFAOYSA-N
XLogP3.20
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
1-N-(3-acetylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981573
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475
1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983261
1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981990
1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266
1-N-(3-acetamidophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975451
1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979810
methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980795
1-N'-(3-acetylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977413
N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974195
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide (CID 108983396) is 1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide is CC(=O)Nc1cccc(NC(=O)C2(C(=O)Nc3cccc(C(C)=O)c3)CC2)c1.
What is the InChIKey of 1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is ADHDBYRTECJEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13(25)15-5-3-6-16(11-15)23-19(27)21(9-10-21)20(28)24-18-8-4-7-17(12-18)22-14(2)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).