N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide

C26H39NO2Si — CID 139707574

IUPACN,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide
SMILESCN(Cc1ccccc1)C(=O)C(CCCO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C26H39NO2Si/c1-26(2,3)30(5,6)29-19-13-18-24(20-22-14-9-7-10-15-22)25(28)27(4)21-23-16-11-8-12-17-23/h7-12,14-17,24H,13,18-21H2,1-6H3
InChIKeyOEIXBWDXZVSOHA-UHFFFAOYSA-N
MW425.69 g/mol
LogP6.31
Rot. Bonds10

About N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide

N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide (PubChem CID 139707574) has the molecular formula C26H39NO2Si and a molecular weight of 425.69 g/mol. Its IUPAC name is N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide.

Molecular Properties

Compound NameN,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide
PubChem CID139707574
Molecular FormulaC26H39NO2Si
Molecular Weight425.69 g/mol
Exact Mass425.28
IUPAC NameN,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide
SMILESCN(Cc1ccccc1)C(=O)C(CCCO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C26H39NO2Si/c1-26(2,3)30(5,6)29-19-13-18-24(20-22-14-9-7-10-15-22)25(28)27(4)21-23-16-11-8-12-17-23/h7-12,14-17,24H,13,18-21H2,1-6H3
InChIKeyOEIXBWDXZVSOHA-UHFFFAOYSA-N
XLogP6.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.69
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 18464463
(3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 54444544
1-((S)-alpha-methylbenzyl)-3-(4-fluorophenylmethyl)-3-(2-(t-butyldimethylsilyloxy)ethyl)-2-oxopyrrolidine
CID 54444545
1-((R)-alpha-methylbenzyl)-3-(4-fluorophenylmethyl)-3-(2-(t-butyldimethylsilyloxy)ethyl)-2-oxopyrrolidine
CID 54444546
N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11177945
(Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide
CID 45140883
(2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide
CID 56953832
(2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one
CID 101353143
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 102015001
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 102015002
1-((r)-2-[(t-Butyldimethylsilyl) oxy]-1-phenylethyl)-3-methylpiperidin-2-one
CID 129774219
(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 135019709

Frequently Asked Questions

What is the IUPAC name of N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide?
The IUPAC name of N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide (CID 139707574) is N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide.
What is the SMILES notation for N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide?
The canonical SMILES for N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide is CN(Cc1ccccc1)C(=O)C(CCCO[Si](C)(C)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide?
The InChIKey is OEIXBWDXZVSOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO2Si/c1-26(2,3)30(5,6)29-19-13-18-24(20-22-14-9-7-10-15-22)25(28)27(4)21-23-16-11-8-12-17-23/h7-12,14-17,24H,13,18-21H2,1-6H3.
What are the key properties of N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide?
N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide has a molecular weight of 425.69 g/mol, XLogP of 6.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide is sourced from PubChem (CID 139707574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).