1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide

C21H23N3O5 — CID 108983285

IUPAC1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(C(=O)Nc3cccc(NC(C)=O)c3)CC2)c1
InChIInChI=1S/C21H23N3O5/c1-13(25)22-14-5-4-6-15(11-14)23-19(26)21(9-10-21)20(27)24-17-12-16(28-2)7-8-18(17)29-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBUPJKBUYWSPRLX-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.02
Rot. Bonds7

About 1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983285) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983285
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(C(=O)Nc3cccc(NC(C)=O)c3)CC2)c1
InChIInChI=1S/C21H23N3O5/c1-13(25)22-14-5-4-6-15(11-14)23-19(26)21(9-10-21)20(27)24-17-12-16(28-2)7-8-18(17)29-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBUPJKBUYWSPRLX-UHFFFAOYSA-N
XLogP3.02
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982910
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980885
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981643
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982042
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981334
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979497
1-N'-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981413
1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982976
1-N-(2,5-dimethoxyphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980986
1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973517

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108983285) is 1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(OC)c(NC(=O)C2(C(=O)Nc3cccc(NC(C)=O)c3)CC2)c1.
What is the InChIKey of 1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is BUPJKBUYWSPRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-13(25)22-14-5-4-6-15(11-14)23-19(26)21(9-10-21)20(27)24-17-12-16(28-2)7-8-18(17)29-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 397.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).