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

C21H24N2O2 — CID 108977134

IUPAC1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c1-2-17-10-6-7-11-18(17)23-20(25)21(13-14-21)19(24)22-15-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,22,24)(H,23,25)
InChIKeyACGDOURVLUMPRR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.33
Rot. Bonds7

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

1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108977134) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108977134
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c1-2-17-10-6-7-11-18(17)23-20(25)21(13-14-21)19(24)22-15-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,22,24)(H,23,25)
InChIKeyACGDOURVLUMPRR-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.33
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-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974806
1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970292
1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971075
1-N'-(2-tert-butylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977143
1-N-(2-phenylethyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977138
1-N'-(2-ethylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976988
1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977513
1-N'-(2-tert-butylphenyl)-1-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108978388
1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108970621
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978448
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976442
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977761

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide (CID 108977134) is 1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide is CCc1ccccc1NC(=O)C1(C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is ACGDOURVLUMPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-17-10-6-7-11-18(17)23-20(25)21(13-14-21)19(24)22-15-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).