2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone

C13H24N2O3 — CID 134070359

IUPAC2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESCCOCC(=O)N1CCC2(CCN2CCOC)C1
InChIInChI=1S/C13H24N2O3/c1-3-18-10-12(16)14-6-4-13(11-14)5-7-15(13)8-9-17-2/h3-11H2,1-2H3
InChIKeyBEGVWROJMZJNTM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.35
Rot. Bonds6

About 2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone

2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone (PubChem CID 134070359) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone
PubChem CID134070359
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESCCOCC(=O)N1CCC2(CCN2CCOC)C1
InChIInChI=1S/C13H24N2O3/c1-3-18-10-12(16)14-6-4-13(11-14)5-7-15(13)8-9-17-2/h3-11H2,1-2H3
InChIKeyBEGVWROJMZJNTM-UHFFFAOYSA-N
XLogP0.35
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 131660587
[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone
CID 131642632
3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 114032004
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
(6S)-4-[2-(2-methoxyethoxy)acetyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97286758
(1-fluorocyclopropyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 131684327
[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850676
[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131678675
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone
CID 82038244
2-methoxy-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 134072667
1-[2-(2-methoxyethoxy)acetyl]-4-methylpiperidine-4-carbonitrile
CID 113368421
1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone
CID 56755922

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone (CID 134070359) is 2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone is CCOCC(=O)N1CCC2(CCN2CCOC)C1.
What is the InChIKey of 2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone?
The InChIKey is BEGVWROJMZJNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-18-10-12(16)14-6-4-13(11-14)5-7-15(13)8-9-17-2/h3-11H2,1-2H3.
What are the key properties of 2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone?
2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone has a molecular weight of 256.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone is sourced from PubChem (CID 134070359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).