(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C21H28N2O4 — CID 95710956

IUPAC(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@]2(CC1)CNC(=O)O2
InChIInChI=1S/C21H28N2O4/c1-20(2,26-17-8-7-15-5-3-6-16(15)13-17)18(24)23-11-4-9-21(10-12-23)14-22-19(25)27-21/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,22,25)/t21-/m1/s1
InChIKeyQWRJCWPOWQWRGP-OAQYLSRUSA-N
MW372.47 g/mol
LogP2.82
Rot. Bonds3

About (5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 95710956) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is (5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID95710956
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@]2(CC1)CNC(=O)O2
InChIInChI=1S/C21H28N2O4/c1-20(2,26-17-8-7-15-5-3-6-16(15)13-17)18(24)23-11-4-9-21(10-12-23)14-22-19(25)27-21/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,22,25)/t21-/m1/s1
InChIKeyQWRJCWPOWQWRGP-OAQYLSRUSA-N
XLogP2.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 90651795
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)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 90650294
(5S)-9-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95712680
(5R)-9-(6-methyl-4-oxopyran-2-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 99936720
tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
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-methylfuran-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724610
2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154589259
8-[2-(4-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668791
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119066807

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 95710956) is (5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@]2(CC1)CNC(=O)O2.
What is the InChIKey of (5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is QWRJCWPOWQWRGP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-20(2,26-17-8-7-15-5-3-6-16(15)13-17)18(24)23-11-4-9-21(10-12-23)14-22-19(25)27-21/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,22,25)/t21-/m1/s1.
What are the key properties of (5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 372.47 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 95710956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).