2-ethoxy-1-(4-methylazepan-1-yl)ethanone

C11H21NO2 — CID 62046305

IUPAC2-ethoxy-1-(4-methylazepan-1-yl)ethanone
SMILESCCOCC(=O)N1CCCC(C)CC1
InChIInChI=1S/C11H21NO2/c1-3-14-9-11(13)12-7-4-5-10(2)6-8-12/h10H,3-9H2,1-2H3
InChIKeyKQJVBQXRCIDZJY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About 2-ethoxy-1-(4-methylazepan-1-yl)ethanone

2-ethoxy-1-(4-methylazepan-1-yl)ethanone (PubChem CID 62046305) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-ethoxy-1-(4-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(4-methylazepan-1-yl)ethanone
PubChem CID62046305
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-ethoxy-1-(4-methylazepan-1-yl)ethanone
SMILESCCOCC(=O)N1CCCC(C)CC1
InChIInChI=1S/C11H21NO2/c1-3-14-9-11(13)12-7-4-5-10(2)6-8-12/h10H,3-9H2,1-2H3
InChIKeyKQJVBQXRCIDZJY-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-methylazepan-1-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(4-methylazepan-1-yl)ethanone (CID 62046305) is 2-ethoxy-1-(4-methylazepan-1-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(4-methylazepan-1-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(4-methylazepan-1-yl)ethanone is CCOCC(=O)N1CCCC(C)CC1.
What is the InChIKey of 2-ethoxy-1-(4-methylazepan-1-yl)ethanone?
The InChIKey is KQJVBQXRCIDZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-14-9-11(13)12-7-4-5-10(2)6-8-12/h10H,3-9H2,1-2H3.
What are the key properties of 2-ethoxy-1-(4-methylazepan-1-yl)ethanone?
2-ethoxy-1-(4-methylazepan-1-yl)ethanone has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-methylazepan-1-yl)ethanone is sourced from PubChem (CID 62046305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).