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

C11H22N2O2 — CID 22984942

IUPAC6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one
SMILESCCC(C)(C)N1CCOCC(NC)C1=O
InChIInChI=1S/C11H22N2O2/c1-5-11(2,3)13-6-7-15-8-9(12-4)10(13)14/h9,12H,5-8H2,1-4H3
InChIKeyYCDLFTXWLMJGIX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds3

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

6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one (PubChem CID 22984942) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one
PubChem CID22984942
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one
SMILESCCC(C)(C)N1CCOCC(NC)C1=O
InChIInChI=1S/C11H22N2O2/c1-5-11(2,3)13-6-7-15-8-9(12-4)10(13)14/h9,12H,5-8H2,1-4H3
InChIKeyYCDLFTXWLMJGIX-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one?
The IUPAC name of 6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one (CID 22984942) is 6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one.
What is the SMILES notation for 6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one?
The canonical SMILES for 6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one is CCC(C)(C)N1CCOCC(NC)C1=O.
What is the InChIKey of 6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one?
The InChIKey is YCDLFTXWLMJGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-11(2,3)13-6-7-15-8-9(12-4)10(13)14/h9,12H,5-8H2,1-4H3.
What are the key properties of 6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one?
6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one has a molecular weight of 214.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one is sourced from PubChem (CID 22984942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).