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

C26H45NO2Si — CID 11750809

IUPAC(2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
SMILESC=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCC)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C26H45NO2Si/c1-10-12-18-24(26(28)27-22(9)23-16-14-13-15-17-23)25(11-2)29-30(19(3)4,20(5)6)21(7)8/h11,13-17,19-22,24-25H,2,10,12,18H2,1,3-9H3,(H,27,28)/t22-,24+,25-/m1/s1
InChIKeySPUKIXWRLXZSAS-PZUNEJSGSA-N
MW431.74 g/mol
LogP7.42
Rot. Bonds13

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

(2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide (PubChem CID 11750809) has the molecular formula C26H45NO2Si and a molecular weight of 431.74 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
PubChem CID11750809
Molecular FormulaC26H45NO2Si
Molecular Weight431.74 g/mol
Exact Mass431.32
IUPAC Name(2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
SMILESC=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCC)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C26H45NO2Si/c1-10-12-18-24(26(28)27-22(9)23-16-14-13-15-17-23)25(11-2)29-30(19(3)4,20(5)6)21(7)8/h11,13-17,19-22,24-25H,2,10,12,18H2,1,3-9H3,(H,27,28)/t22-,24+,25-/m1/s1
InChIKeySPUKIXWRLXZSAS-PZUNEJSGSA-N
XLogP7.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.74
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-trimethylsilyloxybutanamide
CID 135070164
(3R,4S)-3-Triisopropylsilyloxy-4-phenyl-2-azetidinone
CID 10936090
(4S)-2,2-difluoro-3-hydroxy-4-methyl-N-[(1S)-1-phenylethyl]heptanamide
CID 59356508
(3R,4S)-2,2-difluoro-3-hydroxy-4-methyl-N-[(1S)-1-phenylethyl]heptanamide
CID 66680052
(2S,3R,4S,5R,6R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-4-fluoro-N,5-dimethylpiperidine-2-carboxamide
CID 173604880
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one
CID 10913780
N-benzyl-4-methoxy-3-trimethylsilyloxybutanamide
CID 10946366
N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11177945
N-benzyl-3-hydroxyoctanamide
CID 14875643
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide
CID 15447303
(3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one
CID 15867560
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylazetidin-2-one
CID 15895934

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide?
The IUPAC name of (2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide (CID 11750809) is (2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide?
The canonical SMILES for (2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide is C=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCC)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide?
The InChIKey is SPUKIXWRLXZSAS-PZUNEJSGSA-N. The full InChI is InChI=1S/C26H45NO2Si/c1-10-12-18-24(26(28)27-22(9)23-16-14-13-15-17-23)25(11-2)29-30(19(3)4,20(5)6)21(7)8/h11,13-17,19-22,24-25H,2,10,12,18H2,1,3-9H3,(H,27,28)/t22-,24+,25-/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide?
(2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide has a molecular weight of 431.74 g/mol, XLogP of 7.42, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide is sourced from PubChem (CID 11750809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).