N-(2,3-dimethylphenyl)-4-oxopentanamide

C13H17NO2 — CID 60636238

IUPACN-(2,3-dimethylphenyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C13H17NO2/c1-9-5-4-6-12(11(9)3)14-13(16)8-7-10(2)15/h4-6H,7-8H2,1-3H3,(H,14,16)
InChIKeyBJLLSQYTUQMXDZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.61
Rot. Bonds4

About N-(2,3-dimethylphenyl)-4-oxopentanamide

N-(2,3-dimethylphenyl)-4-oxopentanamide (PubChem CID 60636238) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-oxopentanamide
PubChem CID60636238
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(2,3-dimethylphenyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C13H17NO2/c1-9-5-4-6-12(11(9)3)14-13(16)8-7-10(2)15/h4-6H,7-8H2,1-3H3,(H,14,16)
InChIKeyBJLLSQYTUQMXDZ-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
2-methoxyethyl 4-(2,3-dimethylanilino)-4-oxobutanoate
CID 17339093
3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide
CID 110389902
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-oxopentanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-oxopentanamide (CID 60636238) is N-(2,3-dimethylphenyl)-4-oxopentanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-oxopentanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-oxopentanamide is CC(=O)CCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-oxopentanamide?
The InChIKey is BJLLSQYTUQMXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-5-4-6-12(11(9)3)14-13(16)8-7-10(2)15/h4-6H,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2,3-dimethylphenyl)-4-oxopentanamide?
N-(2,3-dimethylphenyl)-4-oxopentanamide has a molecular weight of 219.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-oxopentanamide is sourced from PubChem (CID 60636238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).