[(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate

C28H35F3N2O3Si — CID 174066018

IUPAC[(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate
SMILESC[C@@H](NC(=O)O[C@](C)(c1cccc(CO[Si](C)(C)C(C)(C)C)n1)C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C28H35F3N2O3Si/c1-19(22-16-10-13-20-12-8-9-15-23(20)22)32-25(34)36-27(5,28(29,30)31)24-17-11-14-21(33-24)18-35-37(6,7)26(2,3)4/h8-17,19H,18H2,1-7H3,(H,32,34)/t19-,27-/m1/s1
InChIKeySBEACJBDGKLCAJ-XHCCPWGMSA-N
MW532.68 g/mol
LogP8.02
Rot. Bonds7

About [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate

[(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate (PubChem CID 174066018) has the molecular formula C28H35F3N2O3Si and a molecular weight of 532.68 g/mol. Its IUPAC name is [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate.

Molecular Properties

Compound Name[(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate
PubChem CID174066018
Molecular FormulaC28H35F3N2O3Si
Molecular Weight532.68 g/mol
Exact Mass532.24
IUPAC Name[(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate
SMILESC[C@@H](NC(=O)O[C@](C)(c1cccc(CO[Si](C)(C)C(C)(C)C)n1)C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C28H35F3N2O3Si/c1-19(22-16-10-13-20-12-8-9-15-23(20)22)32-25(34)36-27(5,28(29,30)31)24-17-11-14-21(33-24)18-35-37(6,7)26(2,3)4/h8-17,19H,18H2,1-7H3,(H,32,34)/t19-,27-/m1/s1
InChIKeySBEACJBDGKLCAJ-XHCCPWGMSA-N
XLogP8.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate
CID 10739656
2-hydroxyethyl N-(1-naphthalen-1-ylethyl)carbamate
CID 79349046
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 125470407
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
(2S,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176246
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176242
tert-butyl (2S)-3-methyl-2-[[(2S)-3,3,3-trifluoro-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]propyl]amino]butanoate
CID 101449724
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide
CID 102250228

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The IUPAC name of [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate (CID 174066018) is [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate.
What is the SMILES notation for [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The canonical SMILES for [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate is C[C@@H](NC(=O)O[C@](C)(c1cccc(CO[Si](C)(C)C(C)(C)C)n1)C(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The InChIKey is SBEACJBDGKLCAJ-XHCCPWGMSA-N. The full InChI is InChI=1S/C28H35F3N2O3Si/c1-19(22-16-10-13-20-12-8-9-15-23(20)22)32-25(34)36-27(5,28(29,30)31)24-17-11-14-21(33-24)18-35-37(6,7)26(2,3)4/h8-17,19H,18H2,1-7H3,(H,32,34)/t19-,27-/m1/s1.
What are the key properties of [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
[(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate has a molecular weight of 532.68 g/mol, XLogP of 8.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate is sourced from PubChem (CID 174066018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).