1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide

C20H22N2O2 — CID 108974806

IUPAC1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c1-2-16-10-6-7-11-17(16)22-19(24)20(12-13-20)18(23)21-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyHDXQZSIEIDMBSD-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.28
Rot. Bonds6

About 1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide

1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108974806) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108974806
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c1-2-16-10-6-7-11-17(16)22-19(24)20(12-13-20)18(23)21-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyHDXQZSIEIDMBSD-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.28
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'-(2-ethylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976988
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977134
1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970292
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976442
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978448
1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971075
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974824
1-N-benzyl-1-N'-(2-bromo-4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974867
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135043
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
1-N-[(4-fluorophenyl)methyl]-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975874

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108974806) is 1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide is CCc1ccccc1NC(=O)C1(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is HDXQZSIEIDMBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-16-10-6-7-11-17(16)22-19(24)20(12-13-20)18(23)21-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).