2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate

C24H45NO4Si2 — CID 91749297

IUPAC2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate
SMILESCC(C)COC(=O)NCc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H45NO4Si2/c1-18(2)17-27-22(26)25-16-19-13-14-20(28-30(9,10)23(3,4)5)21(15-19)29-31(11,12)24(6,7)8/h13-15,18H,16-17H2,1-12H3,(H,25,26)
InChIKeyADJJDUGHPCMVNR-UHFFFAOYSA-N
MW467.80 g/mol
LogP7.34
Rot. Bonds8

About 2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate

2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate (PubChem CID 91749297) has the molecular formula C24H45NO4Si2 and a molecular weight of 467.80 g/mol. Its IUPAC name is 2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate
PubChem CID91749297
Molecular FormulaC24H45NO4Si2
Molecular Weight467.80 g/mol
Exact Mass467.29
IUPAC Name2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate
SMILESCC(C)COC(=O)NCc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H45NO4Si2/c1-18(2)17-27-22(26)25-16-19-13-14-20(28-30(9,10)23(3,4)5)21(15-19)29-31(11,12)24(6,7)8/h13-15,18H,16-17H2,1-12H3,(H,25,26)
InChIKeyADJJDUGHPCMVNR-UHFFFAOYSA-N
XLogP7.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.80
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylpropoxycarbonylamino)methyl]benzoic acid
CID 43176413
2-methylpropyl N-[(3-bromophenyl)methyl]carbamate
CID 55029076
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
tert-butyl N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methyl]carbamate;[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanamine;tert-butyl N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate;dichloromethane
CID 160502554
2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
CID 55079122
(2S)-3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 67531897
[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
CID 529362
2-methylpropyl N-[(4-cyanophenyl)methyl]carbamate
CID 60755302
2-methylpropyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61004410
[[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate
CID 171419580
tert-butyl (2S)-2-[[(2S)-3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoate
CID 11007092
1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-bromoethanone
CID 142730774

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate?
The IUPAC name of 2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate (CID 91749297) is 2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate is CC(C)COC(=O)NCc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate?
The InChIKey is ADJJDUGHPCMVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO4Si2/c1-18(2)17-27-22(26)25-16-19-13-14-20(28-30(9,10)23(3,4)5)21(15-19)29-31(11,12)24(6,7)8/h13-15,18H,16-17H2,1-12H3,(H,25,26).
What are the key properties of 2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate?
2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate has a molecular weight of 467.80 g/mol, XLogP of 7.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate is sourced from PubChem (CID 91749297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).