1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide

C17H24N2O2 — CID 108979061

IUPAC1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C17H24N2O2/c1-5-19(6-2)16(21)17(9-10-17)15(20)18-14-8-7-12(3)11-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyUFXRLDNOUXIVBH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.89
Rot. Bonds5

About 1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide

1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide (PubChem CID 108979061) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
PubChem CID108979061
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C17H24N2O2/c1-5-19(6-2)16(21)17(9-10-17)15(20)18-14-8-7-12(3)11-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyUFXRLDNOUXIVBH-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.89
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-(2,5-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979062
1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979129
1-N'-benzyl-1-N-(2,4-dimethylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975549
1-N-(2,5-dichlorophenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979145
1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979076
1-N'-(2,4-dimethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971263
1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980933
1-N'-(2,6-dichlorophenyl)-1-N-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981286
1-N-(2,4-dimethylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108981295
1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981261
1-N',1-N'-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979075
1-N'-(2,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974963

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide (CID 108979061) is 1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide is CCN(CC)C(=O)C1(C(=O)Nc2ccc(C)cc2C)CC1.
What is the InChIKey of 1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
The InChIKey is UFXRLDNOUXIVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-19(6-2)16(21)17(9-10-17)15(20)18-14-8-7-12(3)11-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,20).
What are the key properties of 1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).