N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide

C30H37NO2Si — CID 102046476

IUPACN-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide
SMILESCC(C)(C)C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C30H37NO2Si/c1-30(2,3)28(29(32)31-24-16-8-4-9-17-24)33-34(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h5-7,10-15,18-24,28H,4,8-9,16-17H2,1-3H3,(H,31,32)
InChIKeyRPGBJVZEXYUPAW-UHFFFAOYSA-N
MW471.72 g/mol
LogP4.53
Rot. Bonds7

About N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide

N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide (PubChem CID 102046476) has the molecular formula C30H37NO2Si and a molecular weight of 471.72 g/mol. Its IUPAC name is N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide.

Molecular Properties

Compound NameN-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide
PubChem CID102046476
Molecular FormulaC30H37NO2Si
Molecular Weight471.72 g/mol
Exact Mass471.26
IUPAC NameN-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide
SMILESCC(C)(C)C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C30H37NO2Si/c1-30(2,3)28(29(32)31-24-16-8-4-9-17-24)33-34(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h5-7,10-15,18-24,28H,4,8-9,16-17H2,1-3H3,(H,31,32)
InChIKeyRPGBJVZEXYUPAW-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.72
LogP ≤ 54.53
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

(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide
CID 102046477
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954502
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(3R)-N-cyclohexyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
CID 177440145
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
N-cycloheptyl-2-phenylbutanamide
CID 2890971
[1-(cyclohexylamino)-3,3-dimethyl-1-oxo-4-(2-oxopyrrolidin-1-yl)butan-2-yl] benzoate
CID 3452415
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 8979821

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide?
The IUPAC name of N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide (CID 102046476) is N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide.
What is the SMILES notation for N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide?
The canonical SMILES for N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide is CC(C)(C)C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide?
The InChIKey is RPGBJVZEXYUPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO2Si/c1-30(2,3)28(29(32)31-24-16-8-4-9-17-24)33-34(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h5-7,10-15,18-24,28H,4,8-9,16-17H2,1-3H3,(H,31,32).
What are the key properties of N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide?
N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide has a molecular weight of 471.72 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,3-dimethyl-2-triphenylsilyloxybutanamide is sourced from PubChem (CID 102046476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).