1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide

C23H28N2O2 — CID 109135805

IUPAC1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C23H28N2O2/c1-23(2,3)19-12-8-9-13-20(19)24-21(26)17-14-18(17)22(27)25(4)15-16-10-6-5-7-11-16/h5-13,17-18H,14-15H2,1-4H3,(H,24,26)
InChIKeyXAMDKGMVHKYSNX-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.22
Rot. Bonds5

About 1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide (PubChem CID 109135805) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
PubChem CID109135805
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C23H28N2O2/c1-23(2,3)19-12-8-9-13-20(19)24-21(26)17-14-18(17)22(27)25(4)15-16-10-6-5-7-11-16/h5-13,17-18H,14-15H2,1-4H3,(H,24,26)
InChIKeyXAMDKGMVHKYSNX-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.22
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-(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-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139443
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135803
1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139608
1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135826
1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135831
2-N-(2-tert-butylphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142412
1-N,2-N-bis[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopropane-1,2-dicarboxamide
CID 166187022

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide (CID 109135805) is 1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide is CN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The InChIKey is XAMDKGMVHKYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)19-12-8-9-13-20(19)24-21(26)17-14-18(17)22(27)25(4)15-16-10-6-5-7-11-16/h5-13,17-18H,14-15H2,1-4H3,(H,24,26).
What are the key properties of 1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.22, 5 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-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).