[3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate

C21H28N2O4Si — CID 175494998

IUPAC[3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate
SMILESCNC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(N)=O
InChIInChI=1S/C21H28N2O4Si/c1-21(2,3)28(16-11-7-5-8-12-16,17-13-9-6-10-14-17)26-15-18(19(24)23-4)27-20(22)25/h5-14,18H,15H2,1-4H3,(H2,22,25)(H,23,24)
InChIKeyDIESYZKYMDTPCG-UHFFFAOYSA-N
MW400.55 g/mol
LogP1.77
Rot. Bonds7

About [3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate

[3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate (PubChem CID 175494998) has the molecular formula C21H28N2O4Si and a molecular weight of 400.55 g/mol. Its IUPAC name is [3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate
PubChem CID175494998
Molecular FormulaC21H28N2O4Si
Molecular Weight400.55 g/mol
Exact Mass400.18
IUPAC Name[3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate
SMILESCNC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(N)=O
InChIInChI=1S/C21H28N2O4Si/c1-21(2,3)28(16-11-7-5-8-12-16,17-13-9-6-10-14-17)26-15-18(19(24)23-4)27-20(22)25/h5-14,18H,15H2,1-4H3,(H2,22,25)(H,23,24)
InChIKeyDIESYZKYMDTPCG-UHFFFAOYSA-N
XLogP1.77
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate
CID 135016292
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate?
The IUPAC name of [3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate (CID 175494998) is [3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate is CNC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(N)=O.
What is the InChIKey of [3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate?
The InChIKey is DIESYZKYMDTPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4Si/c1-21(2,3)28(16-11-7-5-8-12-16,17-13-9-6-10-14-17)26-15-18(19(24)23-4)27-20(22)25/h5-14,18H,15H2,1-4H3,(H2,22,25)(H,23,24).
What are the key properties of [3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate?
[3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate has a molecular weight of 400.55 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 175494998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).