1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone

C12H23NO3 — CID 103601645

IUPAC1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCCCCCC1
InChIInChI=1S/C12H23NO3/c1-15-9-10-16-11-12(14)13-7-5-3-2-4-6-8-13/h2-11H2,1H3
InChIKeyNTLYAPOVZPUBIH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds5

About 1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone

1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone (PubChem CID 103601645) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
PubChem CID103601645
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCCCCCC1
InChIInChI=1S/C12H23NO3/c1-15-9-10-16-11-12(14)13-7-5-3-2-4-6-8-13/h2-11H2,1H3
InChIKeyNTLYAPOVZPUBIH-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783
2,2,2-trifluoro-1-[4-[2-(2-methoxyethoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108543737
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
2-ethyl-1-[4-[2-(2-methoxyethoxy)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 108547676
4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 108570063
2-(2-methoxyethoxy)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113220101
4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide
CID 113235213
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601586
2-(2-methoxyethoxy)-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 108547727

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone (CID 103601645) is 1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone?
The InChIKey is NTLYAPOVZPUBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-15-9-10-16-11-12(14)13-7-5-3-2-4-6-8-13/h2-11H2,1H3.
What are the key properties of 1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone?
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone has a molecular weight of 229.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 103601645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).