(2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol

C19H36N2O4Si — CID 23652376

IUPAC(2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol
SMILESCOc1ccc(N[C@H]([C@H](CO)OC)[C@@H](CN)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H36N2O4Si/c1-19(2,3)26(6,7)25-16(12-20)18(17(13-22)24-5)21-14-8-10-15(23-4)11-9-14/h8-11,16-18,21-22H,12-13,20H2,1-7H3/t16-,17+,18+/m1/s1
InChIKeyIJDYDRNVIYJUDR-SQNIBIBYSA-N
MW384.59 g/mol
LogP2.83
Rot. Bonds10

About (2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol

(2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol (PubChem CID 23652376) has the molecular formula C19H36N2O4Si and a molecular weight of 384.59 g/mol. Its IUPAC name is (2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol.

Molecular Properties

Compound Name(2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol
PubChem CID23652376
Molecular FormulaC19H36N2O4Si
Molecular Weight384.59 g/mol
Exact Mass384.24
IUPAC Name(2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol
SMILESCOc1ccc(N[C@H]([C@H](CO)OC)[C@@H](CN)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H36N2O4Si/c1-19(2,3)26(6,7)25-16(12-20)18(17(13-22)24-5)21-14-8-10-15(23-4)11-9-14/h8-11,16-18,21-22H,12-13,20H2,1-7H3/t16-,17+,18+/m1/s1
InChIKeyIJDYDRNVIYJUDR-SQNIBIBYSA-N
XLogP2.83
TPSA85.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-(4-methoxyanilino)-4-phenylmethoxypentanenitrile
CID 23650289
N-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-4-methoxyaniline
CID 135014872
(2,4,6-trimethylphenyl) (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyanilino)-4-methylpentanoate
CID 11785030
4-methoxy-2-(4-methoxyanilino)-4-methylpentan-1-ol
CID 106676177
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol
CID 11631217
methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
CID 122377254
(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-5-methyl-8-trimethylsilyloct-7-yn-1-ol
CID 15606034
N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65383877
(2,4,6-trimethylphenyl) (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyanilino)-5-phenylpentanoate
CID 15531382
2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104771159
2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
CID 61044772
methyl (3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-7-[(4-methoxyphenyl)methoxy]-2,2,4-trimethylheptanoate
CID 52951078

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol?
The IUPAC name of (2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol (CID 23652376) is (2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol.
What is the SMILES notation for (2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol?
The canonical SMILES for (2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol is COc1ccc(N[C@H]([C@H](CO)OC)[C@@H](CN)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol?
The InChIKey is IJDYDRNVIYJUDR-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H36N2O4Si/c1-19(2,3)26(6,7)25-16(12-20)18(17(13-22)24-5)21-14-8-10-15(23-4)11-9-14/h8-11,16-18,21-22H,12-13,20H2,1-7H3/t16-,17+,18+/m1/s1.
What are the key properties of (2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol?
(2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol has a molecular weight of 384.59 g/mol, XLogP of 2.83, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-(4-methoxyanilino)pentan-1-ol is sourced from PubChem (CID 23652376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).