2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide

C17H24N2O2 — CID 109131309

IUPAC2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CC1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C17H24N2O2/c1-4-5-9-18-16(20)13-10-14(13)17(21)19-15-8-6-7-11(2)12(15)3/h6-8,13-14H,4-5,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyMBAXQJBUKFRULS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds6

About 2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109131309) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109131309
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CC1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C17H24N2O2/c1-4-5-9-18-16(20)13-10-14(13)17(21)19-15-8-6-7-11(2)12(15)3/h6-8,13-14H,4-5,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyMBAXQJBUKFRULS-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131326
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132821
1-N-(2,3-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140804
1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137231
2-N-(4-acetamidophenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141946
1-N-(2,3-dimethylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141940
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140052
ethyl 2-[[2-[(2,3-dimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109141974
1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109043741
2-N-(3-chloro-4-methylphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141923
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131322

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109131309) is 2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide is CCCCNC(=O)C1CC1C(=O)Nc1cccc(C)c1C.
What is the InChIKey of 2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is MBAXQJBUKFRULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-5-9-18-16(20)13-10-14(13)17(21)19-15-8-6-7-11(2)12(15)3/h6-8,13-14H,4-5,9-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).