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

C26H26N2O2 — CID 109141876

IUPAC1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O2/c1-18-10-9-11-19(2)24(18)27-25(29)22-16-23(22)26(30)28(21-14-7-4-8-15-21)17-20-12-5-3-6-13-20/h3-15,22-23H,16-17H2,1-2H3,(H,27,29)
InChIKeyRPHLFDIHPWJONB-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.11
Rot. Bonds6

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

1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109141876) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109141876
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O2/c1-18-10-9-11-19(2)24(18)27-25(29)22-16-23(22)26(30)28(21-14-7-4-8-15-21)17-20-12-5-3-6-13-20/h3-15,22-23H,16-17H2,1-2H3,(H,27,29)
InChIKeyRPHLFDIHPWJONB-UHFFFAOYSA-N
XLogP5.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141218
1-N-ethyl-2-N-(2-ethyl-6-methylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142141
1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142112
1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109143982
1-N-benzyl-1-N-phenyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137430
N-benzyl-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84562422
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135803
1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133594
2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142159
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148309
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
1-N,1-N-diethyl-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139318

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109141876) is 1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide is Cc1cccc(C)c1NC(=O)C1CC1C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is RPHLFDIHPWJONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-18-10-9-11-19(2)24(18)27-25(29)22-16-23(22)26(30)28(21-14-7-4-8-15-21)17-20-12-5-3-6-13-20/h3-15,22-23H,16-17H2,1-2H3,(H,27,29).
What are the key properties of 1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.11, 6 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-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).