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

C18H25NO4 — CID 131652733

IUPAC[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2(CC1)CC(OCC1CC1)CO2
InChIInChI=1S/C18H25NO4/c1-13-16(4-9-21-13)17(20)19-7-5-18(6-8-19)10-15(12-23-18)22-11-14-2-3-14/h4,9,14-15H,2-3,5-8,10-12H2,1H3
InChIKeyGQMVXWPGOPWLHJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.78
Rot. Bonds4

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

[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 131652733) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
PubChem CID131652733
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2(CC1)CC(OCC1CC1)CO2
InChIInChI=1S/C18H25NO4/c1-13-16(4-9-21-13)17(20)19-7-5-18(6-8-19)10-15(12-23-18)22-11-14-2-3-14/h4,9,14-15H,2-3,5-8,10-12H2,1H3
InChIKeyGQMVXWPGOPWLHJ-UHFFFAOYSA-N
XLogP2.78
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 97474497
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394897
[(3R)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394898
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3,4-difluorophenyl)methanone
CID 131659686
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 124806536
(2-methylfuran-3-yl)-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419525
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(3-fluoro-4-methylphenyl)methanone
CID 97419936
[(3S)-3-(cyclobutylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97474485
(2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97451253
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700857
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 97418875

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone (CID 131652733) is [3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCC2(CC1)CC(OCC1CC1)CO2.
What is the InChIKey of [3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is GQMVXWPGOPWLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13-16(4-9-21-13)17(20)19-7-5-18(6-8-19)10-15(12-23-18)22-11-14-2-3-14/h4,9,14-15H,2-3,5-8,10-12H2,1H3.
What are the key properties of [3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone?
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 319.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 131652733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).