(Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide

C46H61NO4Si — CID 177465023

IUPAC(Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide
SMILESCC(C)[Si](OCC[C@H](C/C=C\COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C46H61NO4Si/c1-35(2)52(36(3)4,37(5)6)51-34-32-40(45(49)47(8)38(7)44(48)39-23-13-9-14-24-39)25-21-22-33-50-46(41-26-15-10-16-27-41,42-28-17-11-18-29-42)43-30-19-12-20-31-43/h9-24,26-31,35-38,40,44,48H,25,32-34H2,1-8H3/b22-21-/t38-,40-,44+/m0/s1
InChIKeyONCUDNGEVSARHT-ZFWFNVTCSA-N
MW720.08 g/mol
LogP10.72
Rot. Bonds19

About (Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide

(Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide (PubChem CID 177465023) has the molecular formula C46H61NO4Si and a molecular weight of 720.08 g/mol. Its IUPAC name is (Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide.

Molecular Properties

Compound Name(Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide
PubChem CID177465023
Molecular FormulaC46H61NO4Si
Molecular Weight720.08 g/mol
Exact Mass719.44
IUPAC Name(Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide
SMILESCC(C)[Si](OCC[C@H](C/C=C\COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C46H61NO4Si/c1-35(2)52(36(3)4,37(5)6)51-34-32-40(45(49)47(8)38(7)44(48)39-23-13-9-14-24-39)25-21-22-33-50-46(41-26-15-10-16-27-41,42-28-17-11-18-29-42)43-30-19-12-20-31-43/h9-24,26-31,35-38,40,44,48H,25,32-34H2,1-8H3/b22-21-/t38-,40-,44+/m0/s1
InChIKeyONCUDNGEVSARHT-ZFWFNVTCSA-N
XLogP10.72
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.08
LogP ≤ 510.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide
CID 10619732
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide
CID 134839809
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3-dimethyl-2-(2-tributylsilyloxyethyl)butanamide
CID 134917989
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide
CID 134917992
(2R)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-tributylsilyloxybutanamide
CID 134918202
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-tri(propan-2-yl)silyloxybutanamide
CID 135055008
(5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10698633
methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate
CID 10973464
benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 14326866
2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbutanamide
CID 67676866
(S)-2-((R)-3-((tert-butyldiphenylsilyl)oxy)-2-methylpropyl)-N-((1R,2R)-2-hydroxy-1,2-diphenylethyl)-N-methylpent-4-enamide
CID 131746299
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide
CID 140703082

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide?
The IUPAC name of (Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide (CID 177465023) is (Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide.
What is the SMILES notation for (Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide?
The canonical SMILES for (Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide is CC(C)[Si](OCC[C@H](C/C=C\COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide?
The InChIKey is ONCUDNGEVSARHT-ZFWFNVTCSA-N. The full InChI is InChI=1S/C46H61NO4Si/c1-35(2)52(36(3)4,37(5)6)51-34-32-40(45(49)47(8)38(7)44(48)39-23-13-9-14-24-39)25-21-22-33-50-46(41-26-15-10-16-27-41,42-28-17-11-18-29-42)43-30-19-12-20-31-43/h9-24,26-31,35-38,40,44,48H,25,32-34H2,1-8H3/b22-21-/t38-,40-,44+/m0/s1.
What are the key properties of (Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide?
(Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide has a molecular weight of 720.08 g/mol, XLogP of 10.72, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-6-trityloxyhex-4-enamide is sourced from PubChem (CID 177465023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).