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

C13H24N2O2 — CID 22985031

IUPAC4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C13H24N2O2/c1-14-12-10-17-8-7-15(13(12)16)9-11-5-3-2-4-6-11/h11-12,14H,2-10H2,1H3
InChIKeyIMAXYRPWMFIDDX-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds3

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

4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22985031) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22985031
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C13H24N2O2/c1-14-12-10-17-8-7-15(13(12)16)9-11-5-3-2-4-6-11/h11-12,14H,2-10H2,1H3
InChIKeyIMAXYRPWMFIDDX-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 39973439
(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 124877387
4-(2-Bicyclo[3.1.0]hexanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 20589886
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
1-(2-Methoxyethyl)-4-methyl-3-(methylamino)azepan-2-one
CID 22984709
1-(2-Methoxyethyl)-5-methyl-3-(methylamino)azepan-2-one
CID 22984711
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-(2-Bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984997

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one (CID 22985031) is 4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(CC2CCCCC2)C1=O.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is IMAXYRPWMFIDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-12-10-17-8-7-15(13(12)16)9-11-5-3-2-4-6-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 240.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22985031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).