1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one

C16H21NO2 — CID 62019552

IUPAC1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
SMILESCc1ccccc1C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C16H21NO2/c1-13-8-5-6-9-14(13)15(18)12-17-11-7-3-2-4-10-16(17)19/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyWUMXETSAHCKWNZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds3

About 1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one

1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one (PubChem CID 62019552) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
PubChem CID62019552
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
SMILESCc1ccccc1C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C16H21NO2/c1-13-8-5-6-9-14(13)15(18)12-17-11-7-3-2-4-10-16(17)19/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyWUMXETSAHCKWNZ-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62024083
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1-[2-(2-methylphenyl)-2-oxoethyl]azepane-2,7-dione
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1-[2-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018810
1-(2-methylbenzoyl)azepan-2-one
CID 175288999
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1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one
CID 62023560
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one
CID 14192560
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]azepan-2-one
CID 62023902
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
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1-[2-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]-2-oxoethyl]azepan-2-one
CID 72842921
N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide
CID 55897940

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one?
The IUPAC name of 1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one (CID 62019552) is 1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one.
What is the SMILES notation for 1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one?
The canonical SMILES for 1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one is Cc1ccccc1C(=O)CN1CCCCCCC1=O.
What is the InChIKey of 1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one?
The InChIKey is WUMXETSAHCKWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13-8-5-6-9-14(13)15(18)12-17-11-7-3-2-4-10-16(17)19/h5-6,8-9H,2-4,7,10-12H2,1H3.
What are the key properties of 1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one?
1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one is sourced from PubChem (CID 62019552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).