tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate

C18H32N2O3Si — CID 175783177

IUPACtert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccncc1
InChIInChI=1S/C18H32N2O3Si/c1-17(2,3)22-16(21)20-13-15(14-9-11-19-12-10-14)23-24(7,8)18(4,5)6/h9-12,15H,13H2,1-8H3,(H,20,21)/t15-/m0/s1
InChIKeyOKKAADSEUPQRBW-HNNXBMFYSA-N
MW352.55 g/mol
LogP4.67
Rot. Bonds5

About tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate

tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate (PubChem CID 175783177) has the molecular formula C18H32N2O3Si and a molecular weight of 352.55 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate
PubChem CID175783177
Molecular FormulaC18H32N2O3Si
Molecular Weight352.55 g/mol
Exact Mass352.22
IUPAC Nametert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccncc1
InChIInChI=1S/C18H32N2O3Si/c1-17(2,3)22-16(21)20-13-15(14-9-11-19-12-10-14)23-24(7,8)18(4,5)6/h9-12,15H,13H2,1-8H3,(H,20,21)/t15-/m0/s1
InChIKeyOKKAADSEUPQRBW-HNNXBMFYSA-N
XLogP4.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.67
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

tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880873
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880863
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
CID 153328579
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide
CID 139253351
tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 68628541
tert-butyl N-(1-pyridin-4-ylethylamino)carbamate
CID 16732605
[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 140880816
methyl 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175994841
tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate
CID 107250095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate (CID 175783177) is tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate is CC(C)(C)OC(=O)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccncc1.
What is the InChIKey of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate?
The InChIKey is OKKAADSEUPQRBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H32N2O3Si/c1-17(2,3)22-16(21)20-13-15(14-9-11-19-12-10-14)23-24(7,8)18(4,5)6/h9-12,15H,13H2,1-8H3,(H,20,21)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate?
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate has a molecular weight of 352.55 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate is sourced from PubChem (CID 175783177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).