4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one

C8H16N2O2 — CID 130524511

IUPAC4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one
SMILESCNCCN1CCOCCC1=O
InChIInChI=1S/C8H16N2O2/c1-9-3-4-10-5-7-12-6-2-8(10)11/h9H,2-7H2,1H3
InChIKeyQQCKPKKYXJNROF-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds3

About 4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one

4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one (PubChem CID 130524511) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one
PubChem CID130524511
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one
SMILESCNCCN1CCOCCC1=O
InChIInChI=1S/C8H16N2O2/c1-9-3-4-10-5-7-12-6-2-8(10)11/h9H,2-7H2,1H3
InChIKeyQQCKPKKYXJNROF-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Oxazepan-5-one
CID 7023020
N-(2-(dimethylamino)ethyl)-3-methoxypropanamide
CID 20305836
3-Methyl-1,4-oxazepan-5-one
CID 55298771
1-(2-Methoxyethyl)-1,4-diazepan-2-one
CID 65362069
6-Amino-1,4-oxazepan-5-one hydrochloride
CID 138110841
6-Amino-1,4-oxazepan-5-one
CID 77385508
N-(2-aminoethyl)-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212985
N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113344912
3-(2,2-difluoroethoxy)-N-[2-(2-methoxyethylamino)ethyl]propanamide
CID 113788484
N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-(2-methoxyethyl)propanamide
CID 113788948
(4-Methylpiperazin-1-yl)(1,4-oxazepan-6-yl)methanone
CID 66510056
6-(Methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one
CID 20590184

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one?
The IUPAC name of 4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one (CID 130524511) is 4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one.
What is the SMILES notation for 4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one?
The canonical SMILES for 4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one is CNCCN1CCOCCC1=O.
What is the InChIKey of 4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one?
The InChIKey is QQCKPKKYXJNROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-3-4-10-5-7-12-6-2-8(10)11/h9H,2-7H2,1H3.
What are the key properties of 4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one?
4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one has a molecular weight of 172.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]-1,4-oxazepan-5-one is sourced from PubChem (CID 130524511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).