3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide

C20H30N2O3 — CID 111476833

IUPAC3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide
SMILESCCOC1CC(O)C12CCN(CCC(=O)Nc1ccccc1C)CC2
InChIInChI=1S/C20H30N2O3/c1-3-25-18-14-17(23)20(18)9-12-22(13-10-20)11-8-19(24)21-16-7-5-4-6-15(16)2/h4-7,17-18,23H,3,8-14H2,1-2H3,(H,21,24)
InChIKeyXEGDYSUDGDVNQK-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.58
Rot. Bonds6

About 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide

3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide (PubChem CID 111476833) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide
PubChem CID111476833
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide
SMILESCCOC1CC(O)C12CCN(CCC(=O)Nc1ccccc1C)CC2
InChIInChI=1S/C20H30N2O3/c1-3-25-18-14-17(23)20(18)9-12-22(13-10-20)11-8-19(24)21-16-7-5-4-6-15(16)2/h4-7,17-18,23H,3,8-14H2,1-2H3,(H,21,24)
InChIKeyXEGDYSUDGDVNQK-UHFFFAOYSA-N
XLogP2.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide 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

(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 99698152
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanone
CID 97216074
N-cyclopropyl-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)acetamide
CID 111457248
(2R)-2-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 98768021
ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;oxalic acid
CID 171154477
(3-chloro-2-methylphenyl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627681
1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111457366
ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate
CID 109014620
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
ethyl 4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 24588656
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide (CID 111476833) is 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide is CCOC1CC(O)C12CCN(CCC(=O)Nc1ccccc1C)CC2.
What is the InChIKey of 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide?
The InChIKey is XEGDYSUDGDVNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-25-18-14-17(23)20(18)9-12-22(13-10-20)11-8-19(24)21-16-7-5-4-6-15(16)2/h4-7,17-18,23H,3,8-14H2,1-2H3,(H,21,24).
What are the key properties of 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide?
3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide has a molecular weight of 346.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 111476833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).