N-[2-(4-methylphenyl)-5-oxohexyl]acetamide

C15H21NO2 — CID 102318801

IUPACN-[2-(4-methylphenyl)-5-oxohexyl]acetamide
SMILESCC(=O)CCC(CNC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2/c1-11-4-7-14(8-5-11)15(9-6-12(2)17)10-16-13(3)18/h4-5,7-8,15H,6,9-10H2,1-3H3,(H,16,18)
InChIKeyPNGQJJOPNNLLIX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(4-methylphenyl)-5-oxohexyl]acetamide

N-[2-(4-methylphenyl)-5-oxohexyl]acetamide (PubChem CID 102318801) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-5-oxohexyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-5-oxohexyl]acetamide
PubChem CID102318801
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[2-(4-methylphenyl)-5-oxohexyl]acetamide
SMILESCC(=O)CCC(CNC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2/c1-11-4-7-14(8-5-11)15(9-6-12(2)17)10-16-13(3)18/h4-5,7-8,15H,6,9-10H2,1-3H3,(H,16,18)
InChIKeyPNGQJJOPNNLLIX-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate
CID 25270369
4-acetamido-3-(4-propan-2-ylphenyl)butanoic acid
CID 112514869
N-(5-oxo-2-propan-2-ylhexyl)acetamide
CID 158936357
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
5-(3,5-dimethylphenyl)heptan-2-one
CID 83922345
N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 28684626
2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668549
N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
CID 82312288
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
CID 82350206
3-(4-methylphenyl)hexanoic acid
CID 23456891
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119177620

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-5-oxohexyl]acetamide?
The IUPAC name of N-[2-(4-methylphenyl)-5-oxohexyl]acetamide (CID 102318801) is N-[2-(4-methylphenyl)-5-oxohexyl]acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-5-oxohexyl]acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)-5-oxohexyl]acetamide is CC(=O)CCC(CNC(C)=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-5-oxohexyl]acetamide?
The InChIKey is PNGQJJOPNNLLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-7-14(8-5-11)15(9-6-12(2)17)10-16-13(3)18/h4-5,7-8,15H,6,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(4-methylphenyl)-5-oxohexyl]acetamide?
N-[2-(4-methylphenyl)-5-oxohexyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-5-oxohexyl]acetamide is sourced from PubChem (CID 102318801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).