9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C20H26N2O4 — CID 90651795

IUPAC9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C20H26N2O4/c1-19(2,25-16-8-7-14-5-3-6-15(14)11-16)17(23)22-10-4-9-20(13-22)12-21-18(24)26-20/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyABAQUMNZDCACIA-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.43
Rot. Bonds3

About 9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 90651795) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID90651795
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C20H26N2O4/c1-19(2,25-16-8-7-14-5-3-6-15(14)11-16)17(23)22-10-4-9-20(13-22)12-21-18(24)26-20/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyABAQUMNZDCACIA-UHFFFAOYSA-N
XLogP2.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95710956
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39286821
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 70717649
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 133267766
(5R)-9-(2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95714799
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 90650294
9-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77095524
(5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95727090
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56896758
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropan-1-one;hydrochloride
CID 154895105
(5R)-9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99928590

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 90651795) is 9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCCC2(CNC(=O)O2)C1.
What is the InChIKey of 9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ABAQUMNZDCACIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-19(2,25-16-8-7-14-5-3-6-15(14)11-16)17(23)22-10-4-9-20(13-22)12-21-18(24)26-20/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of 9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 358.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 90651795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).