2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide

C21H24N2O4 — CID 109141860

IUPAC2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C)cc1OC
InChIInChI=1S/C21H24N2O4/c1-12-6-5-7-13(2)19(12)23-21(25)16-11-15(16)20(24)22-14-8-9-17(26-3)18(10-14)27-4/h5-10,15-16H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMEKGCTGIZZXJTK-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.53
Rot. Bonds6

About 2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109141860) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109141860
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C)cc1OC
InChIInChI=1S/C21H24N2O4/c1-12-6-5-7-13(2)19(12)23-21(25)16-11-15(16)20(24)22-14-8-9-17(26-3)18(10-14)27-4/h5-10,15-16H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMEKGCTGIZZXJTK-UHFFFAOYSA-N
XLogP3.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791430
1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135831
2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142442
1-N-(3-chloro-4-methoxyphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143261
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142934
2-[(4-fluoro-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114837407
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109141860) is 2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide is COc1ccc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C)cc1OC.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is MEKGCTGIZZXJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-12-6-5-7-13(2)19(12)23-21(25)16-11-15(16)20(24)22-14-8-9-17(26-3)18(10-14)27-4/h5-10,15-16H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).