tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

C24H33NO2Si — CID 10620730

IUPACtert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CN(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H33NO2Si/c1-7-21(28(5,6)22-16-12-9-13-17-22)19-25(23(26)27-24(2,3)4)18-20-14-10-8-11-15-20/h7-17H,18-19H2,1-6H3/b21-7-
InChIKeyYOQDSEZWOZDATC-YXSASFKJSA-N
MW395.62 g/mol
LogP5.52
Rot. Bonds6

About tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (PubChem CID 10620730) has the molecular formula C24H33NO2Si and a molecular weight of 395.62 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
PubChem CID10620730
Molecular FormulaC24H33NO2Si
Molecular Weight395.62 g/mol
Exact Mass395.23
IUPAC Nametert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CN(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H33NO2Si/c1-7-21(28(5,6)22-16-12-9-13-17-22)19-25(23(26)27-24(2,3)4)18-20-14-10-8-11-15-20/h7-17H,18-19H2,1-6H3/b21-7-
InChIKeyYOQDSEZWOZDATC-YXSASFKJSA-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

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Choline, iodide, dibenzylcarbamate
CID 115906
tert-Butyl 4-benzyl-2-methylpiperazine-1-carboxylate
CID 15087789
tert-Butyl benzyl(4-iodobutyl)carbamate
CID 22507617
Ethyl dibenzylcarbamate
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tert-Butyl benzyl(ethenyl)carbamate
CID 11128211
Tert-butyl 2-phenylpiperidine-1-carboxylate
CID 11701654
tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate
CID 15514554
tert-butyl N-methyl-N-(1-phenylethyl)carbamate
CID 20600734
Tert-butyl allyl(1-phenylbut-3-en-1-yl)carbamate
CID 72961447

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (CID 10620730) is tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is C/C=C(/CN(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The InChIKey is YOQDSEZWOZDATC-YXSASFKJSA-N. The full InChI is InChI=1S/C24H33NO2Si/c1-7-21(28(5,6)22-16-12-9-13-17-22)19-25(23(26)27-24(2,3)4)18-20-14-10-8-11-15-20/h7-17H,18-19H2,1-6H3/b21-7-.
What are the key properties of tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
tert-butyl N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]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-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is sourced from PubChem (CID 10620730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).