1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone

C18H33NO3 — CID 169159063

IUPAC1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCCOCCOCCN1CCC2(CCC(C(C)=O)CC2)CC1
InChIInChI=1S/C18H33NO3/c1-3-21-14-15-22-13-12-19-10-8-18(9-11-19)6-4-17(5-7-18)16(2)20/h17H,3-15H2,1-2H3
InChIKeyHYZSXXWWHKSMBL-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.90
Rot. Bonds8

About 1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone

1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 169159063) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID169159063
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCCOCCOCCN1CCC2(CCC(C(C)=O)CC2)CC1
InChIInChI=1S/C18H33NO3/c1-3-21-14-15-22-13-12-19-10-8-18(9-11-19)6-4-17(5-7-18)16(2)20/h17H,3-15H2,1-2H3
InChIKeyHYZSXXWWHKSMBL-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one
CID 177357297
1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone
CID 122212870
1-[3-(2,2-dimethylbutyl)-3-azaspiro[5.5]undecan-9-yl]ethanone
CID 154681003
1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
1-(2-ethoxyethyl)-N-methylpiperidine-4-carboxamide
CID 134055126
2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol
CID 156546413
1-(2-ethoxyethyl)piperidine
CID 22622871
1-(2-methyl-2-azaspiro[3.5]nonan-7-yl)ethanone
CID 154988241
7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane
CID 167292429
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone (CID 169159063) is 1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone is CCOCCOCCN1CCC2(CCC(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is HYZSXXWWHKSMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-3-21-14-15-22-13-12-19-10-8-18(9-11-19)6-4-17(5-7-18)16(2)20/h17H,3-15H2,1-2H3.
What are the key properties of 1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone?
1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 311.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 169159063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).