1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide

C26H26N2O2 — CID 108975315

IUPAC1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C(=O)N(Cc3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H26N2O2/c1-20-12-14-21(15-13-20)18-27-24(29)26(16-17-26)25(30)28(23-10-6-3-7-11-23)19-22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,27,29)
InChIKeyMJHZHAXFAULYNB-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.62
Rot. Bonds7

About 1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108975315) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108975315
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C(=O)N(Cc3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H26N2O2/c1-20-12-14-21(15-13-20)18-27-24(29)26(16-17-26)25(30)28(23-10-6-3-7-11-23)19-22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,27,29)
InChIKeyMJHZHAXFAULYNB-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108974862
1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976890
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108975241
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979188
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
1-N-benzyl-1-N'-(2-bromo-4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974867
1-[(3-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096961
2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 18230288
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
1-N-[(4-fluorophenyl)methyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975053

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 108975315) is 1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide is Cc1ccc(CNC(=O)C2(C(=O)N(Cc3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is MJHZHAXFAULYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-20-12-14-21(15-13-20)18-27-24(29)26(16-17-26)25(30)28(23-10-6-3-7-11-23)19-22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,27,29).
What are the key properties of 1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).