1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone

C19H34N2O2 — CID 102558006

IUPAC1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone
SMILESCCOC1CC(N(C)CC(=O)N2CCCCCC2)C12CCCC2
InChIInChI=1S/C19H34N2O2/c1-3-23-17-14-16(19(17)10-6-7-11-19)20(2)15-18(22)21-12-8-4-5-9-13-21/h16-17H,3-15H2,1-2H3
InChIKeyHZBDZIOCJJUZGW-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.06
Rot. Bonds5

About 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone

1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone (PubChem CID 102558006) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone
PubChem CID102558006
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone
SMILESCCOC1CC(N(C)CC(=O)N2CCCCCC2)C12CCCC2
InChIInChI=1S/C19H34N2O2/c1-3-23-17-14-16(19(17)10-6-7-11-19)20(2)15-18(22)21-12-8-4-5-9-13-21/h16-17H,3-15H2,1-2H3
InChIKeyHZBDZIOCJJUZGW-UHFFFAOYSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 102558005
4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid
CID 119138143
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
CID 99774644
1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111457366
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 95635324
(2S)-2-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylpropanamide;hydrochloride
CID 119333090
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186359
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
CID 119335024
N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpiperidine-3-carboxamide
CID 119335023
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride
CID 120563393
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone (CID 102558006) is 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone is CCOC1CC(N(C)CC(=O)N2CCCCCC2)C12CCCC2.
What is the InChIKey of 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone?
The InChIKey is HZBDZIOCJJUZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-3-23-17-14-16(19(17)10-6-7-11-19)20(2)15-18(22)21-12-8-4-5-9-13-21/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone?
1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone has a molecular weight of 322.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone is sourced from PubChem (CID 102558006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).