[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone

C19H27NO4 — CID 131663288

IUPAC[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
SMILESCCOCCC1CCOC12CN(C(=O)c1cccc(OCC)c1)C2
InChIInChI=1S/C19H27NO4/c1-3-22-10-8-16-9-11-24-19(16)13-20(14-19)18(21)15-6-5-7-17(12-15)23-4-2/h5-7,12,16H,3-4,8-11,13-14H2,1-2H3
InChIKeyOTVCWIVPBBJPHX-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.74
Rot. Bonds7

About [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone

[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone (PubChem CID 131663288) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
PubChem CID131663288
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
SMILESCCOCCC1CCOC12CN(C(=O)c1cccc(OCC)c1)C2
InChIInChI=1S/C19H27NO4/c1-3-22-10-8-16-9-11-24-19(16)13-20(14-19)18(21)15-6-5-7-17(12-15)23-4-2/h5-7,12,16H,3-4,8-11,13-14H2,1-2H3
InChIKeyOTVCWIVPBBJPHX-UHFFFAOYSA-N
XLogP2.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.74
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

[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131658029
(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124801731
[(8S)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-naphthalen-2-ylmethanone
CID 124790508
(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663304
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 124821118
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone
CID 131692948
1,3-benzodioxol-5-yl-[8-[2-(cyclopropylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663962
(1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124819410
[3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 56863583
(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124817136
(3aR,7aR)-2-(3-ethoxybenzoyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154810434

Frequently Asked Questions

What is the IUPAC name of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone?
The IUPAC name of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone (CID 131663288) is [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone.
What is the SMILES notation for [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone?
The canonical SMILES for [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone is CCOCCC1CCOC12CN(C(=O)c1cccc(OCC)c1)C2.
What is the InChIKey of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone?
The InChIKey is OTVCWIVPBBJPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-22-10-8-16-9-11-24-19(16)13-20(14-19)18(21)15-6-5-7-17(12-15)23-4-2/h5-7,12,16H,3-4,8-11,13-14H2,1-2H3.
What are the key properties of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone?
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone has a molecular weight of 333.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone is sourced from PubChem (CID 131663288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).