N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide

C15H21NO2 — CID 115176935

IUPACN-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C15H21NO2/c1-11-4-6-14(12(2)10-11)8-9-16-15(18)7-5-13(3)17/h4,6,10H,5,7-9H2,1-3H3,(H,16,18)
InChIKeyOKNDFUMOMQIJIT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.33
Rot. Bonds6

About N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide

N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide (PubChem CID 115176935) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
PubChem CID115176935
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C15H21NO2/c1-11-4-6-14(12(2)10-11)8-9-16-15(18)7-5-13(3)17/h4,6,10H,5,7-9H2,1-3H3,(H,16,18)
InChIKeyOKNDFUMOMQIJIT-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167356
2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 82109034
N-[2-(5-bromo-2-methylphenyl)ethyl]-4-oxopentanamide
CID 115176955
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430139
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18129621
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461043
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 115155771

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide (CID 115176935) is N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide is CC(=O)CCC(=O)NCCc1ccc(C)cc1C.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide?
The InChIKey is OKNDFUMOMQIJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-6-14(12(2)10-11)8-9-16-15(18)7-5-13(3)17/h4,6,10H,5,7-9H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide?
N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide has a molecular weight of 247.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide is sourced from PubChem (CID 115176935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).