tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate

C25H37NO3Si — CID 46221435

IUPACtert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)[Si](CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37NO3Si/c1-20(2)19-23(26-24(28)29-25(3,4)5)30(18-12-17-27,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23,27H,12,17-19H2,1-5H3,(H,26,28)/t23-/m1/s1
InChIKeyXPNDAGYIJAJVGJ-HSZRJFAPSA-N
MW427.66 g/mol
LogP4.11
Rot. Bonds9

About tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate

tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate (PubChem CID 46221435) has the molecular formula C25H37NO3Si and a molecular weight of 427.66 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate
PubChem CID46221435
Molecular FormulaC25H37NO3Si
Molecular Weight427.66 g/mol
Exact Mass427.25
IUPAC Nametert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)[Si](CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37NO3Si/c1-20(2)19-23(26-24(28)29-25(3,4)5)30(18-12-17-27,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23,27H,12,17-19H2,1-5H3,(H,26,28)/t23-/m1/s1
InChIKeyXPNDAGYIJAJVGJ-HSZRJFAPSA-N
XLogP4.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.66
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
CID 46221200
tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate
CID 12045291
tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10576853
tert-butyl N-[(2S)-1-[[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 68743211
tert-butyl N-[(2S)-1-[[(2R)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 68743989
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
CID 22399693
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoic acid
CID 118978221
tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
CID 110288491
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[(2S,3S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10760266
(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
CID 129449929

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate (CID 46221435) is tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)[Si](CCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate?
The InChIKey is XPNDAGYIJAJVGJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H37NO3Si/c1-20(2)19-23(26-24(28)29-25(3,4)5)30(18-12-17-27,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23,27H,12,17-19H2,1-5H3,(H,26,28)/t23-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate?
tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate has a molecular weight of 427.66 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate is sourced from PubChem (CID 46221435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).