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

C22H26N2O5 — CID 108983259

IUPAC1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c(OC)c1
InChIInChI=1S/C22H26N2O5/c1-14(2)29-16-7-5-15(6-8-16)23-20(25)22(11-12-22)21(26)24-18-10-9-17(27-3)13-19(18)28-4/h5-10,13-14H,11-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLLJUFPNOGVFYFA-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.85
Rot. Bonds8

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

1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983259) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983259
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c(OC)c1
InChIInChI=1S/C22H26N2O5/c1-14(2)29-16-7-5-15(6-8-16)23-20(25)22(11-12-22)21(26)24-18-10-9-17(27-3)13-19(18)28-4/h5-10,13-14H,11-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLLJUFPNOGVFYFA-UHFFFAOYSA-N
XLogP3.85
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
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'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
1-N'-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981413
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982042
1-N'-(2,4-difluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983273
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980885
1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983326
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309
1-N'-(2-ethylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981717
1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983261
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983275

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108983259) is 1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(NC(=O)C2(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c(OC)c1.
What is the InChIKey of 1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is LLJUFPNOGVFYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-14(2)29-16-7-5-15(6-8-16)23-20(25)22(11-12-22)21(26)24-18-10-9-17(27-3)13-19(18)28-4/h5-10,13-14H,11-12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).