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

C27H35N3O4Si — CID 11555010

IUPACtert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)n1ccnc1
InChIInChI=1S/C27H35N3O4Si/c1-26(2,3)34-25(32)29-23(24(31)30-18-17-28-20-30)19-33-35(27(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-18,20,23H,19H2,1-6H3,(H,29,32)/t23-/m0/s1
InChIKeyQZBMNODSTFTCQP-QHCPKHFHSA-N
MW493.68 g/mol
LogP3.99
Rot. Bonds7

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

tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate (PubChem CID 11555010) has the molecular formula C27H35N3O4Si and a molecular weight of 493.68 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate
PubChem CID11555010
Molecular FormulaC27H35N3O4Si
Molecular Weight493.68 g/mol
Exact Mass493.24
IUPAC Nametert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)n1ccnc1
InChIInChI=1S/C27H35N3O4Si/c1-26(2,3)34-25(32)29-23(24(31)30-18-17-28-20-30)19-33-35(27(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-18,20,23H,19H2,1-6H3,(H,29,32)/t23-/m0/s1
InChIKeyQZBMNODSTFTCQP-QHCPKHFHSA-N
XLogP3.99
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
tert-butyl N-[(2S)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate
CID 170928614
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
tert-butyl N-[(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-(triazol-2-yl)butan-2-yl]carbamate
CID 140879225
tert-butyl N-[5-(carbamoylamino)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate
CID 175186155
tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate
CID 102155717
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-iodo-3-methoxybutan-2-yl]carbamate
CID 175133439
benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 45142389
9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid
CID 138985529
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ene-1-sulfonate
CID 23240416
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate
CID 140879308

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate (CID 11555010) is tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)n1ccnc1.
What is the InChIKey of tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate?
The InChIKey is QZBMNODSTFTCQP-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H35N3O4Si/c1-26(2,3)34-25(32)29-23(24(31)30-18-17-28-20-30)19-33-35(27(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-18,20,23H,19H2,1-6H3,(H,29,32)/t23-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 493.68 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11555010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).