(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide

C34H35NO2Si — CID 102046477

IUPAC(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide
SMILESO=C(NC1CCCCC1)C(/C=C/c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H35NO2Si/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/h1,3-7,10-17,20-27,29,33H,2,8-9,18-19H2,(H,35,36)/b27-26+
InChIKeyPNDUIJVJCSBFGI-CYYJNZCTSA-N
MW517.75 g/mol
LogP5.20
Rot. Bonds9

About (E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide

(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide (PubChem CID 102046477) has the molecular formula C34H35NO2Si and a molecular weight of 517.75 g/mol. Its IUPAC name is (E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide
PubChem CID102046477
Molecular FormulaC34H35NO2Si
Molecular Weight517.75 g/mol
Exact Mass517.24
IUPAC Name(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide
SMILESO=C(NC1CCCCC1)C(/C=C/c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H35NO2Si/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/h1,3-7,10-17,20-27,29,33H,2,8-9,18-19H2,(H,35,36)/b27-26+
InChIKeyPNDUIJVJCSBFGI-CYYJNZCTSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.75
LogP ≤ 55.20
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-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide
CID 102046476
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide
CID 11348747
[(2S)-3-(cyclohexylamino)-3-oxo-2-[[(E)-3-phenylprop-2-enoyl]amino]propyl] 2,2-dimethylpropanoate
CID 127040867
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 8578317
(E)-N-cyclohexyl-2-(3,5-dichloro-N-(2-chloroacetyl)anilino)-4-phenylbut-3-enamide
CID 15365094
(2S)-N-cyclohexyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 52894474
(E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide
CID 154707344
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
(5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7642879
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide?
The IUPAC name of (E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide (CID 102046477) is (E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide?
The canonical SMILES for (E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide is O=C(NC1CCCCC1)C(/C=C/c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide?
The InChIKey is PNDUIJVJCSBFGI-CYYJNZCTSA-N. The full InChI is InChI=1S/C34H35NO2Si/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/h1,3-7,10-17,20-27,29,33H,2,8-9,18-19H2,(H,35,36)/b27-26+.
What are the key properties of (E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide?
(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide has a molecular weight of 517.75 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide is sourced from PubChem (CID 102046477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).