tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate

C24H33NO2Si — CID 11668384

IUPACtert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate
SMILESC=C([C@H](C)N(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H33NO2Si/c1-19(20(2)28(6,7)22-16-12-9-13-17-22)25(23(26)27-24(3,4)5)18-21-14-10-8-11-15-21/h8-17,19H,2,18H2,1,3-7H3/t19-/m0/s1
InChIKeyXXVZZOCZBMRSBL-IBGZPJMESA-N
MW395.62 g/mol
LogP5.52
Rot. Bonds6

About tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate

tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate (PubChem CID 11668384) has the molecular formula C24H33NO2Si and a molecular weight of 395.62 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate
PubChem CID11668384
Molecular FormulaC24H33NO2Si
Molecular Weight395.62 g/mol
Exact Mass395.23
IUPAC Nametert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate
SMILESC=C([C@H](C)N(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H33NO2Si/c1-19(20(2)28(6,7)22-16-12-9-13-17-22)25(23(26)27-24(3,4)5)18-21-14-10-8-11-15-21/h8-17,19H,2,18H2,1,3-7H3/t19-/m0/s1
InChIKeyXXVZZOCZBMRSBL-IBGZPJMESA-N
XLogP5.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.62
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
tert-butyl N-[4-[3-(dibenzylamino)propylamino]butyl]carbamate
CID 145983561
tert-butyl N-[4-[3-(dibenzylamino)propylamino]cyclohexyl]carbamate
CID 145983714
ethyl N-benzhydryl-N-methylcarbamate
CID 10778396
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
tert-Butyl 4-benzyl-2-methylpiperazine-1-carboxylate
CID 15087789
tert-Butyl benzyl(4-iodobutyl)carbamate
CID 22507617
tert-butyl (2S)-2-(4-fluorophenyl)-2,5-dihydropyrrole-1-carboxylate
CID 121333367
Ethyl dibenzylcarbamate
CID 234958
Tert-butyl 2-phenylpyrrolidine-1-carboxylate
CID 3772557
Tert-butyl 2-phenylpiperidine-1-carboxylate
CID 11701654
tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate
CID 15514554

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate (CID 11668384) is tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate is C=C([C@H](C)N(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate?
The InChIKey is XXVZZOCZBMRSBL-IBGZPJMESA-N. The full InChI is InChI=1S/C24H33NO2Si/c1-19(20(2)28(6,7)22-16-12-9-13-17-22)25(23(26)27-24(3,4)5)18-21-14-10-8-11-15-21/h8-17,19H,2,18H2,1,3-7H3/t19-/m0/s1.
What are the key properties of tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate?
tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate has a molecular weight of 395.62 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(2S)-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]carbamate is sourced from PubChem (CID 11668384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).