ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate

C28H43NO3SeSi — CID 11082172

IUPACethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate
SMILESCCOC(=O)N(Cc1ccccc1)C([Se]c1ccccc1)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H43NO3SeSi/c1-9-31-28(30)29(20-25-16-12-10-13-17-25)27(33-26-18-14-11-15-19-26)24(8)32-34(21(2)3,22(4)5)23(6)7/h10-19,21-24,27H,9,20H2,1-8H3/t24-,27?/m0/s1
InChIKeyUZDSWHPYDCVGPQ-BXXZMZEQSA-N
MW548.70 g/mol
LogP6.58
Rot. Bonds12

About ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate

ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate (PubChem CID 11082172) has the molecular formula C28H43NO3SeSi and a molecular weight of 548.70 g/mol. Its IUPAC name is ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate.

Molecular Properties

Compound Nameethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate
PubChem CID11082172
Molecular FormulaC28H43NO3SeSi
Molecular Weight548.70 g/mol
Exact Mass549.22
IUPAC Nameethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate
SMILESCCOC(=O)N(Cc1ccccc1)C([Se]c1ccccc1)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H43NO3SeSi/c1-9-31-28(30)29(20-25-16-12-10-13-17-25)27(33-26-18-14-11-15-19-26)24(8)32-34(21(2)3,22(4)5)23(6)7/h10-19,21-24,27H,9,20H2,1-8H3/t24-,27?/m0/s1
InChIKeyUZDSWHPYDCVGPQ-BXXZMZEQSA-N
XLogP6.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.70
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

isobutyl N-benzyl-N-[3-[benzyl(isobutoxycarbonyl)amino]-2-hydroxy-propyl]carbamate
CID 469842
tert-butyl N-benzyl-N-[3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl]carbamate
CID 10648052
ethyl N-benzyl-N-[3-[benzyl(ethoxycarbonyl)amino]-2-hydroxy-propyl]carbamate
CID 469840
Choline, iodide, dibenzylcarbamate
CID 115906
Ethyl dibenzylcarbamate
CID 234958
3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one
CID 162406451
[(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 14945794
[(3S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl] N,N-dibenzylcarbamate
CID 91536914
Dibenzylamine, N-isoBOC
CID 68879080
tert-butyl N-benzyl-N-[(E,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-4-(triethylsilyloxymethyl)hex-1-en-3-yl]carbamate
CID 15743156
Xonulhzrkphwez-uhfffaoysa-
CID 21673028
tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate
CID 10568676

Frequently Asked Questions

What is the IUPAC name of ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate?
The IUPAC name of ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate (CID 11082172) is ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate.
What is the SMILES notation for ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate?
The canonical SMILES for ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate is CCOC(=O)N(Cc1ccccc1)C([Se]c1ccccc1)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate?
The InChIKey is UZDSWHPYDCVGPQ-BXXZMZEQSA-N. The full InChI is InChI=1S/C28H43NO3SeSi/c1-9-31-28(30)29(20-25-16-12-10-13-17-25)27(33-26-18-14-11-15-19-26)24(8)32-34(21(2)3,22(4)5)23(6)7/h10-19,21-24,27H,9,20H2,1-8H3/t24-,27?/m0/s1.
What are the key properties of ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate?
ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate has a molecular weight of 548.70 g/mol, XLogP of 6.58, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-benzyl-N-[(2S)-1-phenylselanyl-2-tri(propan-2-yl)silyloxypropyl]carbamate is sourced from PubChem (CID 11082172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).