1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide

C20H22N2O3 — CID 108981560

IUPAC1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cccc(NC(=O)C2(C(=O)Nc3c(C)cccc3C)CC2)c1
InChIInChI=1S/C20H22N2O3/c1-13-6-4-7-14(2)17(13)22-19(24)20(10-11-20)18(23)21-15-8-5-9-16(12-15)25-3/h4-9,12H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDJSRGUHSKLVBRZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.67
Rot. Bonds5

About 1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981560) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981560
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cccc(NC(=O)C2(C(=O)Nc3c(C)cccc3C)CC2)c1
InChIInChI=1S/C20H22N2O3/c1-13-6-4-7-14(2)17(13)22-19(24)20(10-11-20)18(23)21-15-8-5-9-16(12-15)25-3/h4-9,12H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDJSRGUHSKLVBRZ-UHFFFAOYSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-methoxyphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975290
1-N-(4-chlorophenyl)-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578
1-N-(3-acetylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981573
1-N'-(2,6-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977671
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982910
1-N-[2-(3-methoxyphenyl)ethyl]-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977662
1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977669

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108981560) is 1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide is COc1cccc(NC(=O)C2(C(=O)Nc3c(C)cccc3C)CC2)c1.
What is the InChIKey of 1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is DJSRGUHSKLVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-6-4-7-14(2)17(13)22-19(24)20(10-11-20)18(23)21-15-8-5-9-16(12-15)25-3/h4-9,12H,10-11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).