1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

C22H24N2O4 — CID 108983261

IUPAC1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c1
InChIInChI=1S/C22H24N2O4/c1-14(2)28-19-9-7-17(8-10-19)23-20(26)22(11-12-22)21(27)24-18-6-4-5-16(13-18)15(3)25/h4-10,13-14H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyWGBNBJUCVVIJIP-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.03
Rot. Bonds7

About 1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983261) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983261
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c1
InChIInChI=1S/C22H24N2O4/c1-14(2)28-19-9-7-17(8-10-19)23-20(26)22(11-12-22)21(27)24-18-6-4-5-16(13-18)15(3)25/h4-10,13-14H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyWGBNBJUCVVIJIP-UHFFFAOYSA-N
XLogP4.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987363
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309
1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981990
1-N-(3-acetylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981573
1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983275
1-N'-(2-ethylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981717
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983259
1-N'-(2,4-difluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983273
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 2603355

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108983261) is 1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is CC(=O)c1cccc(NC(=O)C2(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c1.
What is the InChIKey of 1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WGBNBJUCVVIJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(2)28-19-9-7-17(8-10-19)23-20(26)22(11-12-22)21(27)24-18-6-4-5-16(13-18)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-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).