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

C14H26N2O2 — CID 22985024

IUPAC4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC2CCCCCC2)C1=O
InChIInChI=1S/C14H26N2O2/c1-15-13-11-18-9-8-16(14(13)17)10-12-6-4-2-3-5-7-12/h12-13,15H,2-11H2,1H3
InChIKeyKZAGYXARAPNZLL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds3

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

4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22985024) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22985024
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC2CCCCCC2)C1=O
InChIInChI=1S/C14H26N2O2/c1-15-13-11-18-9-8-16(14(13)17)10-12-6-4-2-3-5-7-12/h12-13,15H,2-11H2,1H3
InChIKeyKZAGYXARAPNZLL-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-(3-Bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984990
4-(3-Bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984993
4-(6-Bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985000
4-(6-Bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985003
4-(Cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985018
4-Cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985021
4-(Cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985031
4-(Cyclopentylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985037

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one (CID 22985024) is 4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(CC2CCCCCC2)C1=O.
What is the InChIKey of 4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is KZAGYXARAPNZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-13-11-18-9-8-16(14(13)17)10-12-6-4-2-3-5-7-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 254.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22985024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).