1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide

C23H28N2O2 — CID 109135803

IUPAC1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C23H28N2O2/c1-4-17-12-9-13-18(5-2)21(17)24-22(26)19-14-20(19)23(27)25(3)15-16-10-7-6-8-11-16/h6-13,19-20H,4-5,14-15H2,1-3H3,(H,24,26)
InChIKeyAWIYLLKYHRJCCS-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.04
Rot. Bonds7

About 1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide (PubChem CID 109135803) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
PubChem CID109135803
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C23H28N2O2/c1-4-17-12-9-13-18(5-2)21(17)24-22(26)19-14-20(19)23(27)25(3)15-16-10-7-6-8-11-16/h6-13,19-20H,4-5,14-15H2,1-3H3,(H,24,26)
InChIKeyAWIYLLKYHRJCCS-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135805
1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135868
1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135854
1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135831
1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133726
1-N-ethyl-2-N-(2-ethyl-6-methylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142141
1-N,1-N-diethyl-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139318
2-N-cyclopropyl-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130924
1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141876
1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135826

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide (CID 109135803) is 1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide is CCc1cccc(CC)c1NC(=O)C1CC1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The InChIKey is AWIYLLKYHRJCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-17-12-9-13-18(5-2)21(17)24-22(26)19-14-20(19)23(27)25(3)15-16-10-7-6-8-11-16/h6-13,19-20H,4-5,14-15H2,1-3H3,(H,24,26).
What are the key properties of 1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).