N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide

C46H48N2O7 — CID 165111734

IUPACN-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(O[C@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cc12
InChIInChI=1S/C46H48N2O7/c1-33(49)47-25-24-38-27-48-41-23-22-39(26-40(38)41)54-46-45(53-31-37-20-12-5-13-21-37)44(52-30-36-18-10-4-11-19-36)43(51-29-35-16-8-3-9-17-35)42(55-46)32-50-28-34-14-6-2-7-15-34/h2-23,26-27,42-46,48H,24-25,28-32H2,1H3,(H,47,49)/t42-,43-,44+,45-,46+/m1/s1
InChIKeyKJPKXOJKANKIIB-PSKPMRIASA-N
MW740.90 g/mol
LogP7.92
Rot. Bonds18

About N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide

N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide (PubChem CID 165111734) has the molecular formula C46H48N2O7 and a molecular weight of 740.90 g/mol. Its IUPAC name is N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide
PubChem CID165111734
Molecular FormulaC46H48N2O7
Molecular Weight740.90 g/mol
Exact Mass740.35
IUPAC NameN-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(O[C@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cc12
InChIInChI=1S/C46H48N2O7/c1-33(49)47-25-24-38-27-48-41-23-22-39(26-40(38)41)54-46-45(53-31-37-20-12-5-13-21-37)44(52-30-36-18-10-4-11-19-36)43(51-29-35-16-8-3-9-17-35)42(55-46)32-50-28-34-14-6-2-7-15-34/h2-23,26-27,42-46,48H,24-25,28-32H2,1H3,(H,47,49)/t42-,43-,44+,45-,46+/m1/s1
InChIKeyKJPKXOJKANKIIB-PSKPMRIASA-N
XLogP7.92
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.90
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide with MolForge

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Related Compounds

[(2S,3R,4S,5R,6R)-2-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-4-bis(phenylmethoxy)phosphoryloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] benzyl carbonate
CID 165111726
4-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyphenol
CID 134277169
N-[(2S,4R,5R)-2-phenoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 91612903
N-[(4R,5R)-2-phenoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 146030326
[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 11081066
[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hypofluorite
CID 101133508
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 14332252
[(2S,3R,4S,5R,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
CID 10605858
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
[2-oxo-3-phenylmethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxychromen-7-yl] acetate
CID 54187268
[(2S,3R,4R,5S,6S,7R)-2-methoxy-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] acetate
CID 101497440

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide (CID 165111734) is N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c[nH]c2ccc(O[C@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cc12.
What is the InChIKey of N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is KJPKXOJKANKIIB-PSKPMRIASA-N. The full InChI is InChI=1S/C46H48N2O7/c1-33(49)47-25-24-38-27-48-41-23-22-39(26-40(38)41)54-46-45(53-31-37-20-12-5-13-21-37)44(52-30-36-18-10-4-11-19-36)43(51-29-35-16-8-3-9-17-35)42(55-46)32-50-28-34-14-6-2-7-15-34/h2-23,26-27,42-46,48H,24-25,28-32H2,1H3,(H,47,49)/t42-,43-,44+,45-,46+/m1/s1.
What are the key properties of N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 740.90 g/mol, XLogP of 7.92, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 165111734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).