1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

C23H28N2O2 — CID 108977111

IUPAC1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-18(2)25(17-20-11-7-4-8-12-20)22(27)23(14-15-23)21(26)24-16-13-19-9-5-3-6-10-19/h3-12,18H,13-17H2,1-2H3,(H,24,26)
InChIKeyDGZBAKZZFNLZJS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.56
Rot. Bonds8

About 1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108977111) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
PubChem CID108977111
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-18(2)25(17-20-11-7-4-8-12-20)22(27)23(14-15-23)21(26)24-16-13-19-9-5-3-6-10-19/h3-12,18H,13-17H2,1-2H3,(H,24,26)
InChIKeyDGZBAKZZFNLZJS-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.56
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'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108975241
1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108972199
1-N'-benzyl-1-N'-propan-2-yl-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979580
1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108973277
1-N-(4-acetylphenyl)-1-N'-benzyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108979606
1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108979621
1-N-(2-phenylethyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977138
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
CID 108902247
N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 108972011
N-benzyl-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 113198160
1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108970621
1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971239

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (CID 108977111) is 1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)C1(C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is DGZBAKZZFNLZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18(2)25(17-20-11-7-4-8-12-20)22(27)23(14-15-23)21(26)24-16-13-19-9-5-3-6-10-19/h3-12,18H,13-17H2,1-2H3,(H,24,26).
What are the key properties of 1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.56, 8 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-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).