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

C13H24N2O2 — CID 22985021

IUPAC4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CCCCCC2)C1=O
InChIInChI=1S/C13H24N2O2/c1-14-12-10-17-9-8-15(13(12)16)11-6-4-2-3-5-7-11/h11-12,14H,2-10H2,1H3
InChIKeyDUFKAKHKYJJHAA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds2

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

4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22985021) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22985021
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CCCCCC2)C1=O
InChIInChI=1S/C13H24N2O2/c1-14-12-10-17-9-8-15(13(12)16)11-6-4-2-3-5-7-11/h11-12,14H,2-10H2,1H3
InChIKeyDUFKAKHKYJJHAA-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cycloheptyl-N-(1-methoxypropan-2-yl)ethanediamide
CID 45497336
(2R)-2-acetamido-3-methoxy-N-octadecylpropanamide
CID 132550886
(2R)-2-acetamido-N-hexyl-3-methoxypropanamide
CID 132550888
(2R)-2-acetamido-N-decyl-3-methoxypropanamide
CID 132550889
(2R)-2-acetamido-N-dodecyl-3-methoxypropanamide
CID 132550890
1-(Azepan-1-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one
CID 60734501
1-(Azepan-1-yl)-2-[2-(2,2-difluoroethoxy)ethylamino]propan-1-one
CID 103080641
N-cycloheptyl-N'-(2-methoxyethyl)ethanediamide
CID 2915783
6-(Methylamino)-4-propyl-1,4-oxazepan-5-one
CID 20590196
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)-3-(methylamino)azepan-2-one
CID 22084516

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one (CID 22985021) is 4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(C2CCCCCC2)C1=O.
What is the InChIKey of 4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is DUFKAKHKYJJHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-12-10-17-9-8-15(13(12)16)11-6-4-2-3-5-7-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one?
4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 240.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22985021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).