1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide

C21H24N2O2 — CID 108980653

IUPAC1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(C)c(NC(=O)C2(C(=O)Nc3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-13-11-15(3)18(16(4)12-13)23-20(25)21(9-10-21)19(24)22-17-8-6-5-7-14(17)2/h5-8,11-12H,9-10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWIZMFYAPPBETGH-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.28
Rot. Bonds4

About 1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108980653) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108980653
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(C)c(NC(=O)C2(C(=O)Nc3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-13-11-15(3)18(16(4)12-13)23-20(25)21(9-10-21)19(24)22-17-8-6-5-7-14(17)2/h5-8,11-12H,9-10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWIZMFYAPPBETGH-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(2-methylphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974975
1-N'-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980646
1-N-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
1-N'-(2-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980660
1-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095203
1-N'-(2,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974963
1-N'-(2,6-dichlorophenyl)-1-N-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981286
1-N-(5-chloro-2-methylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981552
1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970867
1-N-(3-bromo-4-methylphenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980672
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 80590919
1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981252

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108980653) is 1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide is Cc1cc(C)c(NC(=O)C2(C(=O)Nc3ccccc3C)CC2)c(C)c1.
What is the InChIKey of 1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WIZMFYAPPBETGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13-11-15(3)18(16(4)12-13)23-20(25)21(9-10-21)19(24)22-17-8-6-5-7-14(17)2/h5-8,11-12H,9-10H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).