1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide

C21H24N2O5 — CID 108976242

IUPAC1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)NCc3ccccc3OC)CC2)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-26-15-8-9-16(18(12-15)28-3)23-20(25)21(10-11-21)19(24)22-13-14-6-4-5-7-17(14)27-2/h4-9,12H,10-11,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZZJKGFWBZWCTAH-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.75
Rot. Bonds8

About 1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108976242) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108976242
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)NCc3ccccc3OC)CC2)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-26-15-8-9-16(18(12-15)28-3)23-20(25)21(10-11-21)19(24)22-13-14-6-4-5-7-17(14)27-2/h4-9,12H,10-11,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZZJKGFWBZWCTAH-UHFFFAOYSA-N
XLogP2.75
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.75
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-methoxyphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976215
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196
1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979218
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976230
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962967
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-carbamothioyl-N-[(2,4-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80590384
1-N'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694
1-N-[(2-methoxyphenyl)methyl]-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976256
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978448

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108976242) is 1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide is COc1ccc(NC(=O)C2(C(=O)NCc3ccccc3OC)CC2)c(OC)c1.
What is the InChIKey of 1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is ZZJKGFWBZWCTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-15-8-9-16(18(12-15)28-3)23-20(25)21(10-11-21)19(24)22-13-14-6-4-5-7-17(14)27-2/h4-9,12H,10-11,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 384.43 g/mol, XLogP of 2.75, 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-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).