4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one

C14H20N2O2 — CID 117023693

IUPAC4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one
SMILESCOc1ccccc1N1CC(C)(C)NCCC1=O
InChIInChI=1S/C14H20N2O2/c1-14(2)10-16(13(17)8-9-15-14)11-6-4-5-7-12(11)18-3/h4-7,15H,8-10H2,1-3H3
InChIKeyGNFIVLIINKYRIM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds2

About 4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one

4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one (PubChem CID 117023693) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one
PubChem CID117023693
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one
SMILESCOc1ccccc1N1CC(C)(C)NCCC1=O
InChIInChI=1S/C14H20N2O2/c1-14(2)10-16(13(17)8-9-15-14)11-6-4-5-7-12(11)18-3/h4-7,15H,8-10H2,1-3H3
InChIKeyGNFIVLIINKYRIM-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dimethylphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023674
4-(2,4-dimethylphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023670
1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one
CID 66645735
4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
CID 115068184
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one
CID 117023902
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1380841
(5S)-1-(2-methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
CID 850225
10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64956352
carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one
CID 158537394
4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 17233930

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one?
The IUPAC name of 4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one (CID 117023693) is 4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one?
The canonical SMILES for 4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one is COc1ccccc1N1CC(C)(C)NCCC1=O.
What is the InChIKey of 4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one?
The InChIKey is GNFIVLIINKYRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)10-16(13(17)8-9-15-14)11-6-4-5-7-12(11)18-3/h4-7,15H,8-10H2,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one?
4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one has a molecular weight of 248.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 117023693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).