2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one

C10H19NO3 — CID 130847241

IUPAC2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCCOCC1C
InChIInChI=1S/C10H19NO3/c1-8-7-14-6-4-5-11(8)10(12)9(2)13-3/h8-9H,4-7H2,1-3H3
InChIKeyATLOBJAGOKJFCM-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds2

About 2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one

2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one (PubChem CID 130847241) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
PubChem CID130847241
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCCOCC1C
InChIInChI=1S/C10H19NO3/c1-8-7-14-6-4-5-11(8)10(12)9(2)13-3/h8-9H,4-7H2,1-3H3
InChIKeyATLOBJAGOKJFCM-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328
2-chloro-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 127001228
3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide
CID 130834986
propan-2-yl 3-methyl-1,4-oxazepane-4-carboxylate
CID 130987232
2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one
CID 130709295
2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 130815989
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
CID 115647053
methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
CID 90196570
(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
CID 106774404

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one (CID 130847241) is 2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one is COC(C)C(=O)N1CCCOCC1C.
What is the InChIKey of 2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one?
The InChIKey is ATLOBJAGOKJFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8-7-14-6-4-5-11(8)10(12)9(2)13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one?
2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one is sourced from PubChem (CID 130847241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).