N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide

C34H37NO2Si — CID 102046470

IUPACN-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide
SMILESO=C(NC1CCCCC1)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37NO2Si/c36-34(35-29-18-8-2-9-19-29)33(27-26-28-16-6-1-7-17-28)37-38(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1,3-7,10-17,20-25,29,33H,2,8-9,18-19,26-27H2,(H,35,36)
InChIKeyOKIQFJVUQRPGIU-UHFFFAOYSA-N
MW519.76 g/mol
LogP5.12
Rot. Bonds10

About N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide

N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide (PubChem CID 102046470) has the molecular formula C34H37NO2Si and a molecular weight of 519.76 g/mol. Its IUPAC name is N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide
PubChem CID102046470
Molecular FormulaC34H37NO2Si
Molecular Weight519.76 g/mol
Exact Mass519.26
IUPAC NameN-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide
SMILESO=C(NC1CCCCC1)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37NO2Si/c36-34(35-29-18-8-2-9-19-29)33(27-26-28-16-6-1-7-17-28)37-38(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1,3-7,10-17,20-25,29,33H,2,8-9,18-19,26-27H2,(H,35,36)
InChIKeyOKIQFJVUQRPGIU-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.76
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(2R,3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butyl]amino]propyl]-2-phenyl-acetamide
CID 481841
N,2-dicyclohexyl-2-triphenylsilyloxyacetamide
CID 102046475
(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide
CID 102046477
N-cyclohexyl-2-phenyl-2-triphenylsilyloxyacetamide
CID 102046478
4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide
CID 135004659
N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide
CID 138970075
(z)-N-cyclohexyl-3-phenyl-2-[(triphenylsilyl)oxy]acrylamide
CID 146036672
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide
CID 12968559
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide
CID 12968561
(3S,6S,9S,12R)-3,6-dibenzyl-9-[(7R)-7-[tert-butyl(diphenyl)silyl]oxy-6-oxooctyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CID 58725978
(3S,6S,9S,12R)-3,6-dibenzyl-9-[(7R)-7-[tert-butyl(diphenyl)silyl]oxy-6-oxooctyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 58726062
(3S,6R,9S,12R)-3,6-dibenzyl-9-[(7R)-7-[tert-butyl(diphenyl)silyl]oxy-6-oxooctyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CID 58726424

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide?
The IUPAC name of N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide (CID 102046470) is N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide.
What is the SMILES notation for N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide?
The canonical SMILES for N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide is O=C(NC1CCCCC1)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide?
The InChIKey is OKIQFJVUQRPGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO2Si/c36-34(35-29-18-8-2-9-19-29)33(27-26-28-16-6-1-7-17-28)37-38(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1,3-7,10-17,20-25,29,33H,2,8-9,18-19,26-27H2,(H,35,36).
What are the key properties of N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide?
N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide has a molecular weight of 519.76 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide is sourced from PubChem (CID 102046470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).