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

C20H27NO4 — CID 131658029

IUPAC[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)N2CC3(C2)OCCC3COCC2CC2)c1
InChIInChI=1S/C20H27NO4/c1-2-24-18-5-3-4-16(10-18)19(22)21-13-20(14-21)17(8-9-25-20)12-23-11-15-6-7-15/h3-5,10,15,17H,2,6-9,11-14H2,1H3
InChIKeyWZEYLHWZULFCSM-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.74
Rot. Bonds7

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

[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone (PubChem CID 131658029) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is [8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
PubChem CID131658029
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)N2CC3(C2)OCCC3COCC2CC2)c1
InChIInChI=1S/C20H27NO4/c1-2-24-18-5-3-4-16(10-18)19(22)21-13-20(14-21)17(8-9-25-20)12-23-11-15-6-7-15/h3-5,10,15,17H,2,6-9,11-14H2,1H3
InChIKeyWZEYLHWZULFCSM-UHFFFAOYSA-N
XLogP2.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131663288
(3-fluoro-4-methylphenyl)-[8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658166
(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124801731
(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663304
1,3-benzodioxol-5-yl-[8-[2-(cyclopropylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663962
1-[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenyl)ethanone
CID 131649671
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[(8S)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-naphthalen-2-ylmethanone
CID 124790508
(3aR,7aR)-2-(3-ethoxybenzoyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154810434
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 133143433
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(3-ethoxyphenyl)methanone
CID 136582462

Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone?
The IUPAC name of [8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone (CID 131658029) is [8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone.
What is the SMILES notation for [8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone?
The canonical SMILES for [8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone is CCOc1cccc(C(=O)N2CC3(C2)OCCC3COCC2CC2)c1.
What is the InChIKey of [8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone?
The InChIKey is WZEYLHWZULFCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-2-24-18-5-3-4-16(10-18)19(22)21-13-20(14-21)17(8-9-25-20)12-23-11-15-6-7-15/h3-5,10,15,17H,2,6-9,11-14H2,1H3.
What are the key properties of [8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone?
[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone has a molecular weight of 345.44 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-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone is sourced from PubChem (CID 131658029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).