2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate

C18H25NO3Si — CID 15421860

IUPAC2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)N[C@H](CO)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO3Si/c1-23(2,3)11-10-22-18(21)19-17(13-20)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17,20H,10-11,13H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyGNIDCXBWSDDUIC-QGZVFWFLSA-N
MW331.49 g/mol
LogP3.94
Rot. Bonds6

About 2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate

2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate (PubChem CID 15421860) has the molecular formula C18H25NO3Si and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
PubChem CID15421860
Molecular FormulaC18H25NO3Si
Molecular Weight331.49 g/mol
Exact Mass331.16
IUPAC Name2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)N[C@H](CO)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO3Si/c1-23(2,3)11-10-22-18(21)19-17(13-20)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17,20H,10-11,13H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyGNIDCXBWSDDUIC-QGZVFWFLSA-N
XLogP3.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.94
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

ethyl N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 15364975
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CID 58633293
2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 107863811
(3S)-3-naphthalen-2-yl-3-(prop-2-enoxycarbonylamino)propanoic acid
CID 167739374
(2R)-2-amino-2-naphthalen-2-ylethanol;tert-butyl N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate;2-ethenylnaphthalene
CID 158202232
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide
CID 91155586
N-[(1R)-2-amino-1-naphthalen-2-ylethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 170899336
2-(2,5-difluorophenyl)-N-(2-hydroxy-1-naphthalen-2-ylethyl)acetamide
CID 23573503
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate (CID 15421860) is 2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate is C[Si](C)(C)CCOC(=O)N[C@H](CO)c1ccc2ccccc2c1.
What is the InChIKey of 2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate?
The InChIKey is GNIDCXBWSDDUIC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25NO3Si/c1-23(2,3)11-10-22-18(21)19-17(13-20)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17,20H,10-11,13H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of 2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate?
2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate has a molecular weight of 331.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate is sourced from PubChem (CID 15421860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).