4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one

C11H20N2O2 — CID 22985018

IUPAC4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC2CCC2)C1=O
InChIInChI=1S/C11H20N2O2/c1-12-10-8-15-6-5-13(11(10)14)7-9-3-2-4-9/h9-10,12H,2-8H2,1H3
InChIKeyAFPYARFAGAYFIP-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds3

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

4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22985018) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22985018
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC2CCC2)C1=O
InChIInChI=1S/C11H20N2O2/c1-12-10-8-15-6-5-13(11(10)14)7-9-3-2-4-9/h9-10,12H,2-8H2,1H3
InChIKeyAFPYARFAGAYFIP-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(6-cyclobutyl-1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136544528
6-(Methylamino)-4-propyl-1,4-oxazepan-5-one
CID 20590196
4-[(1-Ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20609804
4-[(1-Ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20609805
4-[(1-Ethylazepan-2-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20799000
4-[(1-Ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20799002
6-(Methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one
CID 22984942
4-[2-(Dimethylamino)ethyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 22984981
4-(2-Methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984987
6-(Methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one
CID 22985007
4-Cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985012
4-Cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985021

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one (CID 22985018) is 4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(CC2CCC2)C1=O.
What is the InChIKey of 4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is AFPYARFAGAYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-10-8-15-6-5-13(11(10)14)7-9-3-2-4-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 212.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22985018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).