N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide

C13H15NO2 — CID 82113873

IUPACN-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC2CC2)cc1C
InChIInChI=1S/C13H15NO2/c1-8-3-4-10(7-9(8)2)12(15)13(16)14-11-5-6-11/h3-4,7,11H,5-6H2,1-2H3,(H,14,16)
InChIKeyIRVBOFVQUGATDE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.76
Rot. Bonds3

About N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide

N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide (PubChem CID 82113873) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide
PubChem CID82113873
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC2CC2)cc1C
InChIInChI=1S/C13H15NO2/c1-8-3-4-10(7-9(8)2)12(15)13(16)14-11-5-6-11/h3-4,7,11H,5-6H2,1-2H3,(H,14,16)
InChIKeyIRVBOFVQUGATDE-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
N-cyclopropyl-2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 82117881
2-(1,3-benzodioxol-5-yl)-N-cyclopropyl-2-oxoacetamide
CID 82116103
N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide
CID 94272868
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708768
2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 86919755
[4-(cyclopropylcarbamoyl)-2-methylphenyl]boronic acid
CID 129359426
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 8532471
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
N-cyclopentyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 82118308
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
CID 82121275

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide (CID 82113873) is N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NC2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide?
The InChIKey is IRVBOFVQUGATDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-3-4-10(7-9(8)2)12(15)13(16)14-11-5-6-11/h3-4,7,11H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide?
N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide has a molecular weight of 217.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 82113873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).