1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one

C16H24N2O — CID 117016262

IUPAC1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one
SMILESCCc1cccc(C)c1N1CCCCNC(C)C1=O
InChIInChI=1S/C16H24N2O/c1-4-14-9-7-8-12(2)15(14)18-11-6-5-10-17-13(3)16(18)19/h7-9,13,17H,4-6,10-11H2,1-3H3
InChIKeyGFLCZOAOPXHPRA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.66
Rot. Bonds2

About 1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one

1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one (PubChem CID 117016262) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one
PubChem CID117016262
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one
SMILESCCc1cccc(C)c1N1CCCCNC(C)C1=O
InChIInChI=1S/C16H24N2O/c1-4-14-9-7-8-12(2)15(14)18-11-6-5-10-17-13(3)16(18)19/h7-9,13,17H,4-6,10-11H2,1-3H3
InChIKeyGFLCZOAOPXHPRA-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one
CID 117014103
1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
4-(2-ethyl-6-methylphenyl)-1,4-diazocan-5-one
CID 117015355
4-(2-ethyl-6-methylphenyl)-7,7-dimethyl-1,4-diazepan-5-one
CID 117023411
1-(2-ethyl-6-methylphenyl)-3,3-dimethyl-1,4-diazocane
CID 117016490
1-ethyl-3-methyl-1,4-diazocan-2-one
CID 117016221
4-(azepane-1-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 113186430
1-(2-ethyl-6-methylphenyl)piperidin-4-one
CID 117028332
3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one
CID 115102065
1-(2,6-diethylphenyl)imidazolidin-2-one
CID 115370429
3-methyl-1-(pyridin-2-ylmethyl)-1,4-diazocan-2-one
CID 117016241
1-(2,6-dimethylphenyl)-3-(1-ethylpyrrolidin-1-ium-1-yl)piperidin-2-one;yttrium
CID 158665564

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one (CID 117016262) is 1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one is CCc1cccc(C)c1N1CCCCNC(C)C1=O.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one?
The InChIKey is GFLCZOAOPXHPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-14-9-7-8-12(2)15(14)18-11-6-5-10-17-13(3)16(18)19/h7-9,13,17H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one?
1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one is sourced from PubChem (CID 117016262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).