N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide

C26H45NO2Si — CID 11177945

IUPACN-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
SMILESCCCCCC(=O)N(C/C=C/O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)c1ccccc1
InChIInChI=1S/C26H45NO2Si/c1-9-10-12-18-26(28)27(24(8)25-16-13-11-14-17-25)19-15-20-29-30(21(2)3,22(4)5)23(6)7/h11,13-17,20-24H,9-10,12,18-19H2,1-8H3/b20-15+/t24-/m1/s1
InChIKeyFRZAFJZWDSNETL-NAENUDGNSA-N
MW431.74 g/mol
LogP7.86
Rot. Bonds13

About N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide

N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide (PubChem CID 11177945) has the molecular formula C26H45NO2Si and a molecular weight of 431.74 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
PubChem CID11177945
Molecular FormulaC26H45NO2Si
Molecular Weight431.74 g/mol
Exact Mass431.32
IUPAC NameN-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
SMILESCCCCCC(=O)N(C/C=C/O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)c1ccccc1
InChIInChI=1S/C26H45NO2Si/c1-9-10-12-18-26(28)27(24(8)25-16-13-11-14-17-25)19-15-20-29-30(21(2)3,22(4)5)23(6)7/h11,13-17,20-24H,9-10,12,18-19H2,1-8H3/b20-15+/t24-/m1/s1
InChIKeyFRZAFJZWDSNETL-NAENUDGNSA-N
XLogP7.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.74
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide
CID 134940928
N-benzyl-N-methyltetradecanamide
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(E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide
CID 15965604
N,N-diethyl-2,6-bis(triethylsilyl)benzamide
CID 146164434
N-benzyl-N-methyldecanoic acid amide
CID 11300336
1-Tert-butyldimethylsilyl-4-phenyl-2-azetidinone
CID 13583686
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 59089983
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 59089990

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide (CID 11177945) is N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide is CCCCCC(=O)N(C/C=C/O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide?
The InChIKey is FRZAFJZWDSNETL-NAENUDGNSA-N. The full InChI is InChI=1S/C26H45NO2Si/c1-9-10-12-18-26(28)27(24(8)25-16-13-11-14-17-25)19-15-20-29-30(21(2)3,22(4)5)23(6)7/h11,13-17,20-24H,9-10,12,18-19H2,1-8H3/b20-15+/t24-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide?
N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide has a molecular weight of 431.74 g/mol, XLogP of 7.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide is sourced from PubChem (CID 11177945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).