3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one

C15H27NO4 — CID 171945281

IUPAC3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
SMILESCCOCCOCCC(=O)C1CC2COCC(C1)N2C
InChIInChI=1S/C15H27NO4/c1-3-18-6-7-19-5-4-15(17)12-8-13-10-20-11-14(9-12)16(13)2/h12-14H,3-11H2,1-2H3
InChIKeyPICSHGUMGLBUSV-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.11
Rot. Bonds8

About 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one

3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one (PubChem CID 171945281) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
PubChem CID171945281
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
SMILESCCOCCOCCC(=O)C1CC2COCC(C1)N2C
InChIInChI=1S/C15H27NO4/c1-3-18-6-7-19-5-4-15(17)12-8-13-10-20-11-14(9-12)16(13)2/h12-14H,3-11H2,1-2H3
InChIKeyPICSHGUMGLBUSV-UHFFFAOYSA-N
XLogP1.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one 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

tert-butyl 7-[3-(2-ethoxyethoxy)propanoyl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945284
4-methoxy-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)butan-1-one
CID 171938492
1-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-ethoxypropan-1-one
CID 171938469
4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171937984
3,3-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)butan-1-one
CID 171938541
3-ethoxy-1-(8-thiabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171938455
cyclopropyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171939019
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
1-(3,5-dimethylcyclohexyl)-3-propoxypropan-1-one
CID 105105162
(3-ethoxyphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947025
9H-fluoren-9-ylmethyl 3-(3-ethoxypropanoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171938451
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 112680633

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The IUPAC name of 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one (CID 171945281) is 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one.
What is the SMILES notation for 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The canonical SMILES for 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one is CCOCCOCCC(=O)C1CC2COCC(C1)N2C.
What is the InChIKey of 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The InChIKey is PICSHGUMGLBUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-18-6-7-19-5-4-15(17)12-8-13-10-20-11-14(9-12)16(13)2/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one has a molecular weight of 285.38 g/mol, XLogP of 1.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one is sourced from PubChem (CID 171945281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).