1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

C23H28N2O4 — CID 108974929

IUPAC1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2(C(=O)NCc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-16-6-4-5-7-18(16)15-25-22(27)23(11-12-23)21(26)24-13-10-17-8-9-19(28-2)20(14-17)29-3/h4-9,14H,10-13,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyMALHVVFXMJXERW-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.77
Rot. Bonds9

About 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108974929) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108974929
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2(C(=O)NCc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-16-6-4-5-7-18(16)15-25-22(27)23(11-12-23)21(26)24-13-10-17-8-9-19(28-2)20(14-17)29-3/h4-9,14H,10-13,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyMALHVVFXMJXERW-UHFFFAOYSA-N
XLogP2.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.77
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

1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974919
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974930
1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096402
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid
CID 17367721
1-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 80593163
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111213210
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473
1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977169
1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978448
1-N'-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974965

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108974929) is 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is COc1ccc(CCNC(=O)C2(C(=O)NCc3ccccc3C)CC2)cc1OC.
What is the InChIKey of 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is MALHVVFXMJXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-6-4-5-7-18(16)15-25-22(27)23(11-12-23)21(26)24-13-10-17-8-9-19(28-2)20(14-17)29-3/h4-9,14H,10-13,15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).