tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate

C20H27NO2Si — CID 102314408

IUPACtert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H27NO2Si/c1-20(2,3)23-19(22)21-18(16-12-8-6-9-13-16)24(4,5)17-14-10-7-11-15-17/h6-15,18H,1-5H3,(H,21,22)
InChIKeyALUDQDQYWVXWAX-UHFFFAOYSA-N
MW341.53 g/mol
LogP4.41
Rot. Bonds4

About tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate

tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate (PubChem CID 102314408) has the molecular formula C20H27NO2Si and a molecular weight of 341.53 g/mol. Its IUPAC name is tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate
PubChem CID102314408
Molecular FormulaC20H27NO2Si
Molecular Weight341.53 g/mol
Exact Mass341.18
IUPAC Nametert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H27NO2Si/c1-20(2,3)23-19(22)21-18(16-12-8-6-9-13-16)24(4,5)17-14-10-7-11-15-17/h6-15,18H,1-5H3,(H,21,22)
InChIKeyALUDQDQYWVXWAX-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl benzylcarbamate
CID 75801
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
Benzylcarbamic acid;phenylmethanamine
CID 230053
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate
CID 18369537
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765
tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate
CID 3354775
tert-butyl N-[4-[3-(dibenzylamino)propylamino]butyl]carbamate
CID 145983561
tert-butyl N-[4-[3-(dibenzylamino)propylamino]cyclohexyl]carbamate
CID 145983714
4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid
CID 3863163
N-Benzyl-N'-boc-ethylenediamine
CID 10634443

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate?
The IUPAC name of tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate (CID 102314408) is tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate is CC(C)(C)OC(=O)NC(c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate?
The InChIKey is ALUDQDQYWVXWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2Si/c1-20(2,3)23-19(22)21-18(16-12-8-6-9-13-16)24(4,5)17-14-10-7-11-15-17/h6-15,18H,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate?
tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate has a molecular weight of 341.53 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate is sourced from PubChem (CID 102314408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).