2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide

C20H22N2O2 — CID 109141218

IUPAC2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC1C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-13-8-7-9-14(2)18(13)21-19(23)16-12-17(16)20(24)22(3)15-10-5-4-6-11-15/h4-11,16-17H,12H2,1-3H3,(H,21,23)
InChIKeyMGYPBIRLXLFNQJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.54
Rot. Bonds4

About 2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide

2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109141218) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109141218
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC1C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-13-8-7-9-14(2)18(13)21-19(23)16-12-17(16)20(24)22(3)15-10-5-4-6-11-15/h4-11,16-17H,12H2,1-3H3,(H,21,23)
InChIKeyMGYPBIRLXLFNQJ-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141876
2-N-(3-chloro-2-methylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141236
1-N-ethyl-2-N-(2-ethyl-6-methylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142141
2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139590
2-N-cyclopropyl-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130915
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597
1-N-methyl-2-N-(2-phenoxyphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141291
1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141275
1-N,1-N-diethyl-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139318
2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 66252015
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
(1S,6R)-6-[(2,6-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7109014

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109141218) is 2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide is Cc1cccc(C)c1NC(=O)C1CC1C(=O)N(C)c1ccccc1.
What is the InChIKey of 2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is MGYPBIRLXLFNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-8-7-9-14(2)18(13)21-19(23)16-12-17(16)20(24)22(3)15-10-5-4-6-11-15/h4-11,16-17H,12H2,1-3H3,(H,21,23).
What are the key properties of 2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).