8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H26N2O4 — CID 70774740

IUPAC8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2
InChIInChI=1S/C20H26N2O4/c23-18(14-16-6-7-16)21-10-8-20(9-11-21)15-22(19(24)26-20)12-13-25-17-4-2-1-3-5-17/h1-5,16H,6-15H2
InChIKeyCEIIZRNWDXMOPL-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.68
Rot. Bonds6

About 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70774740) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70774740
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2
InChIInChI=1S/C20H26N2O4/c23-18(14-16-6-7-16)21-10-8-20(9-11-21)15-22(19(24)26-20)12-13-25-17-4-2-1-3-5-17/h1-5,16H,6-15H2
InChIKeyCEIIZRNWDXMOPL-UHFFFAOYSA-N
XLogP2.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(1R,3S)-3-aminocyclopentanecarbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 133130859
8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70779840
[2-oxo-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]urea
CID 70772627
8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70749055
8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729921
2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide
CID 70707899
8-(5-methylpyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70736346
8-[2-methyl-3-(1,2,4-triazol-1-yl)propanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70779117
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
8-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70781638
8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70723870
8-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705402

Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70774740) is 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C(CC1CC1)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2.
What is the InChIKey of 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CEIIZRNWDXMOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c23-18(14-16-6-7-16)21-10-8-20(9-11-21)15-22(19(24)26-20)12-13-25-17-4-2-1-3-5-17/h1-5,16H,6-15H2.
What are the key properties of 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 358.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70774740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).