[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone

C18H27NO4 — CID 131641705

IUPAC[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
SMILESCCOCCC1CCOC12CCN(C(=O)c1occc1C)CC2
InChIInChI=1S/C18H27NO4/c1-3-21-11-5-15-6-13-23-18(15)7-9-19(10-8-18)17(20)16-14(2)4-12-22-16/h4,12,15H,3,5-11,13H2,1-2H3
InChIKeyMOVHYKTXAVPCRH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.03
Rot. Bonds5

About [4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone

[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 131641705) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is [4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
PubChem CID131641705
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
SMILESCCOCCC1CCOC12CCN(C(=O)c1occc1C)CC2
InChIInChI=1S/C18H27NO4/c1-3-21-11-5-15-6-13-23-18(15)7-9-19(10-8-18)17(20)16-14(2)4-12-22-16/h4,12,15H,3,5-11,13H2,1-2H3
InChIKeyMOVHYKTXAVPCRH-UHFFFAOYSA-N
XLogP3.03
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.03
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

(3-chloro-4-fluorophenyl)-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124870354
(3-methylfuran-2-yl)-[(8R)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124809590
[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 124821118
(3-methylfuran-2-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669328
[4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone
CID 131659692
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131647307
[(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 124835536
1-[(4R)-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 124799575
4-(2-ethoxyethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131678473
(2-methylfuran-3-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131651853
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124810784
(3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124912988

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone (CID 131641705) is [4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone is CCOCCC1CCOC12CCN(C(=O)c1occc1C)CC2.
What is the InChIKey of [4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is MOVHYKTXAVPCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-3-21-11-5-15-6-13-23-18(15)7-9-19(10-8-18)17(20)16-14(2)4-12-22-16/h4,12,15H,3,5-11,13H2,1-2H3.
What are the key properties of [4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 131641705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).