4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one

C11H22N2O2 — CID 22985226

IUPAC4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C11H22N2O2/c1-11(2,3)8-13-5-6-15-7-9(12-4)10(13)14/h9,12H,5-8H2,1-4H3
InChIKeyYSMYMBOTRQLMRL-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one

4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22985226) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22985226
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C11H22N2O2/c1-11(2,3)8-13-5-6-15-7-9(12-4)10(13)14/h9,12H,5-8H2,1-4H3
InChIKeyYSMYMBOTRQLMRL-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985037
4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20589927
6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one
CID 20590162
6-(methylamino)-4-(thiolan-3-ylmethyl)-1,4-oxazepan-5-one
CID 22985266
4-(2,2-dimethylpropyl)morpholin-3-one
CID 59172197
6-(methylamino)-4-(pyrimidin-4-ylmethyl)-1,4-oxazepan-5-one
CID 20590207
4-cyclobut-2-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
CID 22984954
6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one
CID 20590208
6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one
CID 20590202
4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one
CID 20589875
6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one
CID 20590182
2,2-dimethyl-3-[3-(methylamino)-2-oxopiperidin-1-yl]propanamide
CID 106277942

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one (CID 22985226) is 4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(CC(C)(C)C)C1=O.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is YSMYMBOTRQLMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)8-13-5-6-15-7-9(12-4)10(13)14/h9,12H,5-8H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 214.31 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22985226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).