4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one

C9H18N2O3 — CID 22984987

IUPAC4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CCOC)C1=O
InChIInChI=1S/C9H18N2O3/c1-10-8-7-14-6-4-11(9(8)12)3-5-13-2/h8,10H,3-7H2,1-2H3
InChIKeyUXBVKGRSYNDDON-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.92
Rot. Bonds4

About 4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one

4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22984987) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22984987
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(CCOC)C1=O
InChIInChI=1S/C9H18N2O3/c1-10-8-7-14-6-4-11(9(8)12)3-5-13-2/h8,10H,3-7H2,1-2H3
InChIKeyUXBVKGRSYNDDON-UHFFFAOYSA-N
XLogP-0.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1,4-oxazepan-5-one
CID 55298771
1-(2-Methoxyethyl)-1,4-diazepan-2-one
CID 65362069
2-Amino-3-methoxy-1-(morpholin-4-yl)propan-1-one hydrochloride
CID 137951607
6-Amino-1,4-oxazepan-5-one hydrochloride
CID 138110841
2-Acetamido-3-methoxypropanamide
CID 54533530
N,N-dimethylmorpholine-3-carboxamide
CID 22992253
6-Amino-1,4-oxazepan-5-one
CID 77385508
2-Amino-3-methoxy-1-(morpholin-4-yl)propan-1-one
CID 81082196
(2R,9S,13S)-2,9,13-trimethyl-1-oxa-4,7,10-triazacyclotridecane-5,8,11-trione
CID 12111783
2-Acetamido-3-prop-2-ynoxypropanamide
CID 91156082
(2R)-2-acetamido-N-hexyl-3-methoxypropanamide
CID 132550888
ethyl N-(alpha-acetamido-alpha-ethoxycarbonylacetyl)sarcosinate
CID 177896168

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one (CID 22984987) is 4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(CCOC)C1=O.
What is the InChIKey of 4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is UXBVKGRSYNDDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10-8-7-14-6-4-11(9(8)12)3-5-13-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 202.25 g/mol, XLogP of -0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22984987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).