1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide

C20H22N2O2 — CID 108975398

IUPAC1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1NC(=O)C1(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c1-14-8-6-7-11-17(14)22-19(24)20(12-13-20)18(23)21-15(2)16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCCMITZDYZHBAHJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.59
Rot. Bonds5

About 1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide

1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108975398) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108975398
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1NC(=O)C1(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c1-14-8-6-7-11-17(14)22-19(24)20(12-13-20)18(23)21-15(2)16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCCMITZDYZHBAHJ-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
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-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975428
1-N'-(1-phenylethyl)-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975446
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597
1-N-[(2-methylphenyl)methyl]-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108974902
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
1-N'-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980646
1-N-(3-acetamidophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975451
1-N-(5-methyl-1,2-oxazol-3-yl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975488
1-N'-(2-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980660
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
1-N-(3-chlorophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975424
1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980653

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide (CID 108975398) is 1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide is Cc1ccccc1NC(=O)C1(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is CCMITZDYZHBAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-8-6-7-11-17(14)22-19(24)20(12-13-20)18(23)21-15(2)16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).