(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C17H23NO4 — CID 124801731

IUPAC(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCCOc1cccc(C(=O)N2CC3(C[C@H](OC)CCO3)C2)c1
InChIInChI=1S/C17H23NO4/c1-3-21-14-6-4-5-13(9-14)16(19)18-11-17(12-18)10-15(20-2)7-8-22-17/h4-6,9,15H,3,7-8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyMLUFIOYEFOPQCS-OAHLLOKOSA-N
MW305.37 g/mol
LogP2.11
Rot. Bonds4

About (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 124801731) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID124801731
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCCOc1cccc(C(=O)N2CC3(C[C@H](OC)CCO3)C2)c1
InChIInChI=1S/C17H23NO4/c1-3-21-14-6-4-5-13(9-14)16(19)18-11-17(12-18)10-15(20-2)7-8-22-17/h4-6,9,15H,3,7-8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyMLUFIOYEFOPQCS-OAHLLOKOSA-N
XLogP2.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone with MolForge

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Related Compounds

(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131663288
[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131658029
(3aR,7aR)-2-(3-ethoxybenzoyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154810434
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone
CID 131692948
(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692648
(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692889
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460
3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile
CID 131692647
[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone
CID 124819828
(5-ethyl-1,2-oxazol-4-yl)-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692928

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 124801731) is (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is CCOc1cccc(C(=O)N2CC3(C[C@H](OC)CCO3)C2)c1.
What is the InChIKey of (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is MLUFIOYEFOPQCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-21-14-6-4-5-13(9-14)16(19)18-11-17(12-18)10-15(20-2)7-8-22-17/h4-6,9,15H,3,7-8,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 305.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 124801731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).