1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide

C26H26N2O2 — CID 109142112

IUPAC1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)C2CC2C(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H26N2O2/c1-2-19-13-15-21(16-14-19)27-25(29)23-17-24(23)26(30)28(22-11-7-4-8-12-22)18-20-9-5-3-6-10-20/h3-16,23-24H,2,17-18H2,1H3,(H,27,29)
InChIKeyAUOXHONYIPUNOC-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.06
Rot. Bonds7

About 1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109142112) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109142112
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)C2CC2C(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H26N2O2/c1-2-19-13-15-21(16-14-19)27-25(29)23-17-24(23)26(30)28(22-11-7-4-8-12-22)18-20-9-5-3-6-10-20/h3-16,23-24H,2,17-18H2,1H3,(H,27,29)
InChIKeyAUOXHONYIPUNOC-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109143982
1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141876
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
1-N-benzyl-1-N-phenyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137430
1-N-ethyl-2-N-(2-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141985
2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142192
(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
CID 95785400
2-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868227
1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139840
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135803

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109142112) is 1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide is CCc1ccc(NC(=O)C2CC2C(=O)N(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is AUOXHONYIPUNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-2-19-13-15-21(16-14-19)27-25(29)23-17-24(23)26(30)28(22-11-7-4-8-12-22)18-20-9-5-3-6-10-20/h3-16,23-24H,2,17-18H2,1H3,(H,27,29).
What are the key properties of 1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.06, 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-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).