1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

C22H24N2O3 — CID 108981990

IUPAC1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(C(=O)Nc3ccccc3C(C)C)CC2)c1
InChIInChI=1S/C22H24N2O3/c1-14(2)18-9-4-5-10-19(18)24-21(27)22(11-12-22)20(26)23-17-8-6-7-16(13-17)15(3)25/h4-10,13-14H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyXSSXHZNQEUIBNZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.37
Rot. Bonds6

About 1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981990) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981990
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(C(=O)Nc3ccccc3C(C)C)CC2)c1
InChIInChI=1S/C22H24N2O3/c1-14(2)18-9-4-5-10-19(18)24-21(27)22(11-12-22)20(26)23-17-8-6-7-16(13-17)15(3)25/h4-10,13-14H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyXSSXHZNQEUIBNZ-UHFFFAOYSA-N
XLogP4.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
1-N'-tert-butyl-1-N-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979351
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 18096583
1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983261
1-N-(3-acetylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981573
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 80591264
1-N-(2-propan-2-ylphenyl)-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108981987
1-N-[(3-methylphenyl)methyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975121
1-N-(2-phenylethyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977138
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
1-[3-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865510

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981990) is 1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is CC(=O)c1cccc(NC(=O)C2(C(=O)Nc3ccccc3C(C)C)CC2)c1.
What is the InChIKey of 1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is XSSXHZNQEUIBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14(2)18-9-4-5-10-19(18)24-21(27)22(11-12-22)20(26)23-17-8-6-7-16(13-17)15(3)25/h4-10,13-14H,11-12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).