(6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione

C21H32N2O4Si — CID 10621265

IUPAC(6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(NC(=O)CN(Cc3ccccc3)C2=O)OC1
InChIInChI=1S/C21H32N2O4Si/c1-20(2,3)28(4,5)27-17-11-12-21(26-15-17)19(25)23(14-18(24)22-21)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3,(H,22,24)/t17-,21+/m0/s1
InChIKeyKNQKKPOANBZZHM-LAUBAEHRSA-N
MW404.58 g/mol
LogP3.04
Rot. Bonds4

About (6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione

(6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 10621265) has the molecular formula C21H32N2O4Si and a molecular weight of 404.58 g/mol. Its IUPAC name is (6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name(6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID10621265
Molecular FormulaC21H32N2O4Si
Molecular Weight404.58 g/mol
Exact Mass404.21
IUPAC Name(6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(NC(=O)CN(Cc3ccccc3)C2=O)OC1
InChIInChI=1S/C21H32N2O4Si/c1-20(2,3)28(4,5)27-17-11-12-21(26-15-17)19(25)23(14-18(24)22-21)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3,(H,22,24)/t17-,21+/m0/s1
InChIKeyKNQKKPOANBZZHM-LAUBAEHRSA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4aR,5R,7S,8R,8aS)-6-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-N,2,2,3,3-pentamethyl-5,7,8,8a-tetrahydro-4aH-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
CID 173604883
(2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10597384
(2S,5R)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10621264
(5S)-N-(2-amino-2-oxoethyl)-N-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxyoxolane-2-carboxamide
CID 10669941
(2S,5S)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10779850
(2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 100969823
4-[2-(Oxan-2-ylmethoxy)propanoyl]-3-phenylpiperazin-2-one
CID 122132514
(3S)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one
CID 124628523
(3R)-4-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one
CID 124628524
(3S)-4-[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one
CID 124832519
(3R)-4-[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]-3-phenylpiperazin-2-one
CID 124832520

Frequently Asked Questions

What is the IUPAC name of (6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of (6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 10621265) is (6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for (6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for (6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(NC(=O)CN(Cc3ccccc3)C2=O)OC1.
What is the InChIKey of (6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is KNQKKPOANBZZHM-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H32N2O4Si/c1-20(2,3)28(4,5)27-17-11-12-21(26-15-17)19(25)23(14-18(24)22-21)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3,(H,22,24)/t17-,21+/m0/s1.
What are the key properties of (6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione?
(6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 404.58 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 10621265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).