[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone

C19H27NO3 — CID 131692948

IUPAC[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone
SMILESCCOCCC1CCOC2(C1)CN(C(=O)c1cccc(C)c1)C2
InChIInChI=1S/C19H27NO3/c1-3-22-9-7-16-8-10-23-19(12-16)13-20(14-19)18(21)17-6-4-5-15(2)11-17/h4-6,11,16H,3,7-10,12-14H2,1-2H3
InChIKeyQDZWHDNIJFRNCD-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.04
Rot. Bonds5

About [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone

[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone (PubChem CID 131692948) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone
PubChem CID131692948
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone
SMILESCCOCCC1CCOC2(C1)CN(C(=O)c1cccc(C)c1)C2
InChIInChI=1S/C19H27NO3/c1-3-22-9-7-16-8-10-23-19(12-16)13-20(14-19)18(21)17-6-4-5-15(2)11-17/h4-6,11,16H,3,7-10,12-14H2,1-2H3
InChIKeyQDZWHDNIJFRNCD-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692810
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131642458
(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692648
1-[(8R)-8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-fluorophenoxy)ethanone
CID 124869912
(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124801731
(3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 97374277
(3-methylphenyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692625
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(3-ethoxyphenyl)methanone
CID 131663288
(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97374282
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
furan-3-yl-[(8S)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124795434
(3-hydroxyphenyl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155859763

Frequently Asked Questions

What is the IUPAC name of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone?
The IUPAC name of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone (CID 131692948) is [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone is CCOCCC1CCOC2(C1)CN(C(=O)c1cccc(C)c1)C2.
What is the InChIKey of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone?
The InChIKey is QDZWHDNIJFRNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-22-9-7-16-8-10-23-19(12-16)13-20(14-19)18(21)17-6-4-5-15(2)11-17/h4-6,11,16H,3,7-10,12-14H2,1-2H3.
What are the key properties of [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone?
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone has a molecular weight of 317.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 131692948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).