tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate

C19H31NO2Si — CID 10568676

IUPACtert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate
SMILESC/C=C(/CN(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H31NO2Si/c1-8-17(23(5,6)7)15-20(18(21)22-19(2,3)4)14-16-12-10-9-11-13-16/h8-13H,14-15H2,1-7H3/b17-8-
InChIKeyDAHKKXHWYOHUHV-IUXPMGMMSA-N
MW333.55 g/mol
LogP5.25
Rot. Bonds5

About tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate

tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate (PubChem CID 10568676) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate
PubChem CID10568676
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Nametert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate
SMILESC/C=C(/CN(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H31NO2Si/c1-8-17(23(5,6)7)15-20(18(21)22-19(2,3)4)14-16-12-10-9-11-13-16/h8-13H,14-15H2,1-7H3/b17-8-
InChIKeyDAHKKXHWYOHUHV-IUXPMGMMSA-N
XLogP5.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.55
LogP ≤ 55.25
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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(R)-N-Boc-2-phenylpyrrolidine
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tert-Butyl (2-aminoethyl)(benzyl)carbamate
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tert-Butyl 4-benzyl-2-methylpiperazine-1-carboxylate
CID 15087789
tert-Butyl benzyl(4-hydroxybutyl)carbamate
CID 22006367
tert-Butyl benzyl(4-iodobutyl)carbamate
CID 22507617
tert-Butyl 3-(aminomethyl)benzyl(methyl)carbamate
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(4-(((tert-Butoxycarbonyl)(methyl)amino)methyl)phenyl)boronic acid
CID 45791246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate (CID 10568676) is tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate is C/C=C(/CN(Cc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate?
The InChIKey is DAHKKXHWYOHUHV-IUXPMGMMSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-8-17(23(5,6)7)15-20(18(21)22-19(2,3)4)14-16-12-10-9-11-13-16/h8-13H,14-15H2,1-7H3/b17-8-.
What are the key properties of tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate?
tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate has a molecular weight of 333.55 g/mol, XLogP of 5.25, 5 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-trimethylsilylbut-2-enyl]carbamate is sourced from PubChem (CID 10568676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).