tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate

C21H37NO2Si — CID 10915461

IUPACtert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate
SMILESCC(C)[Si](C(C)C)(C(C)C)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H37NO2Si/c1-16(2)25(17(3)4,18(5)6)22(20(23)24-21(7,8)9)15-19-13-11-10-12-14-19/h10-14,16-18H,15H2,1-9H3
InChIKeyYSYBMVQGDYXQCX-UHFFFAOYSA-N
MW363.62 g/mol
LogP6.60
Rot. Bonds6

About tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate

tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate (PubChem CID 10915461) has the molecular formula C21H37NO2Si and a molecular weight of 363.62 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate
PubChem CID10915461
Molecular FormulaC21H37NO2Si
Molecular Weight363.62 g/mol
Exact Mass363.26
IUPAC Nametert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate
SMILESCC(C)[Si](C(C)C)(C(C)C)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H37NO2Si/c1-16(2)25(17(3)4,18(5)6)22(20(23)24-21(7,8)9)15-19-13-11-10-12-14-19/h10-14,16-18H,15H2,1-9H3
InChIKeyYSYBMVQGDYXQCX-UHFFFAOYSA-N
XLogP6.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.62
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl Benzylcarbamate
CID 4615331
tert-Butyl benzyl(4-iodobutyl)carbamate
CID 22507617
(4-(((tert-Butoxycarbonyl)(methyl)amino)methyl)phenyl)boronic acid
CID 45791246
tert-Butyl benzyl(ethenyl)carbamate
CID 11128211
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
tert-butyl N-benzyl-N-(4,4,4-trifluorobuta-1,2-dienyl)carbamate
CID 135043792
tert-butyl N-benzyl-N-(2-fluoroprop-2-enyl)carbamate
CID 138970587
tert-butyl N-[(3-fluorophenyl)-tributylstannylmethyl]carbamate
CID 164684710
tert-butyl N-[(2-fluorophenyl)-tributylstannylmethyl]carbamate
CID 164686880
tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate
CID 164686881

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate?
The IUPAC name of tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate (CID 10915461) is tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate?
The canonical SMILES for tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate is CC(C)[Si](C(C)C)(C(C)C)N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate?
The InChIKey is YSYBMVQGDYXQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2Si/c1-16(2)25(17(3)4,18(5)6)22(20(23)24-21(7,8)9)15-19-13-11-10-12-14-19/h10-14,16-18H,15H2,1-9H3.
What are the key properties of tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate?
tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate has a molecular weight of 363.62 g/mol, XLogP of 6.60, 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-tri(propan-2-yl)silylcarbamate is sourced from PubChem (CID 10915461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).