1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one

C14H20N2O2 — CID 117014442

IUPAC1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one
SMILESCOc1ccc(C)cc1N1CCCNCCC1=O
InChIInChI=1S/C14H20N2O2/c1-11-4-5-13(18-2)12(10-11)16-9-3-7-15-8-6-14(16)17/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyMRGXFAMCYVPGII-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.72
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one

1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one (PubChem CID 117014442) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one
PubChem CID117014442
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one
SMILESCOc1ccc(C)cc1N1CCCNCCC1=O
InChIInChI=1S/C14H20N2O2/c1-11-4-5-13(18-2)12(10-11)16-9-3-7-15-8-6-14(16)17/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyMRGXFAMCYVPGII-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1,4-diazocan-2-one
CID 117016190
1-(2-methoxy-5-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119401734
N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679617
1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one
CID 155201545
4-(2-bromo-4-methylphenyl)-1,4-diazepan-5-one
CID 82307419
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7636428
1,4-diazepan-1-yl-(2-methoxy-5-methylphenyl)methanone
CID 62504199
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119446786
1-(3-chloro-2-methylphenyl)-1,5-diazocan-2-one
CID 117014427
1-(3,4-dimethoxyphenyl)-1,4-diazepan-2-one
CID 82297454
3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
CID 76906542

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one (CID 117014442) is 1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one is COc1ccc(C)cc1N1CCCNCCC1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one?
The InChIKey is MRGXFAMCYVPGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-4-5-13(18-2)12(10-11)16-9-3-7-15-8-6-14(16)17/h4-5,10,15H,3,6-9H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one?
1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one is sourced from PubChem (CID 117014442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).