1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

C20H22N2O2 — CID 108980952

IUPAC1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c1-3-15-9-7-8-12-17(15)21-18(23)20(13-14-20)19(24)22(2)16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyRJGKBIBYZILVQG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.63
Rot. Bonds5

About 1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108980952) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108980952
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c1-3-15-9-7-8-12-17(15)21-18(23)20(13-14-20)19(24)22(2)16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyRJGKBIBYZILVQG-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.63
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-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981020
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-(2,5-dimethoxyphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980986
1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981009
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977134
1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971075
1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981000
1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258
1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981003
N-(2-ethylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591274
1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981761

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 108980952) is 1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is CCc1ccccc1NC(=O)C1(C(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of 1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is RJGKBIBYZILVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-15-9-7-8-12-17(15)21-18(23)20(13-14-20)19(24)22(2)16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3,(H,21,23).
What are the key properties of 1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).