tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate

C18H31NO3Si — CID 123715889

IUPACtert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate
SMILESCN(CCO[SiH](c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H31NO3Si/c1-17(2,3)22-16(20)19(7)13-14-21-23(18(4,5)6)15-11-9-8-10-12-15/h8-12,23H,13-14H2,1-7H3
InChIKeyIEAFHLNTJMFHAR-UHFFFAOYSA-N
MW337.54 g/mol
LogP3.30
Rot. Bonds5

About tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate

tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate (PubChem CID 123715889) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate
PubChem CID123715889
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC Nametert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate
SMILESCN(CCO[SiH](c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H31NO3Si/c1-17(2,3)22-16(20)19(7)13-14-21-23(18(4,5)6)15-11-9-8-10-12-15/h8-12,23H,13-14H2,1-7H3
InChIKeyIEAFHLNTJMFHAR-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate 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 (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11132182
(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 13008516
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate
CID 75233329
tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate
CID 101251332
3-[(E)-2-[dimethyl(phenyl)silyl]-2-trimethylsilylethenyl]-1,3-oxazolidin-2-one
CID 134848274
tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate
CID 135050531
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 135066877
tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate
CID 135074712
[(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate
CID 154720372
tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate
CID 162401376
[(E)-5-[dimethyl(phenyl)silyl]pent-3-enyl] N,N-dimethylcarbamate
CID 176421416
tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11155185

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate (CID 123715889) is tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate is CN(CCO[SiH](c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate?
The InChIKey is IEAFHLNTJMFHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-17(2,3)22-16(20)19(7)13-14-21-23(18(4,5)6)15-11-9-8-10-12-15/h8-12,23H,13-14H2,1-7H3.
What are the key properties of tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate?
tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate has a molecular weight of 337.54 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate is sourced from PubChem (CID 123715889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).