N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C83H89NO15 — CID 162977288

IUPACN-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1)C1C(OCc2ccccc2)OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2O)C1OCc1ccccc1
InChIInChI=1S/C83H89NO15/c1-59-74(89-51-64-36-18-6-19-37-64)78(92-54-67-42-24-9-25-43-67)73(86)82(95-59)99-80-79(93-55-68-44-26-10-27-45-68)75(90-52-65-38-20-7-21-39-65)70(57-87-49-62-32-14-4-15-33-62)97-83(80)98-76-71(58-88-50-63-34-16-5-17-35-63)96-81(94-56-69-46-28-11-29-47-69)72(77(76)91-53-66-40-22-8-23-41-66)84(60(2)85)48-61-30-12-3-13-31-61/h3-47,59,70-83,86H,48-58H2,1-2H3
InChIKeyBVIJENJDZIMYPB-UHFFFAOYSA-N
MW1340.62 g/mol
LogP13.31
Rot. Bonds33

About N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 162977288) has the molecular formula C83H89NO15 and a molecular weight of 1340.62 g/mol. Its IUPAC name is N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID162977288
Molecular FormulaC83H89NO15
Molecular Weight1340.62 g/mol
Exact Mass1339.62
IUPAC NameN-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1)C1C(OCc2ccccc2)OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2O)C1OCc1ccccc1
InChIInChI=1S/C83H89NO15/c1-59-74(89-51-64-36-18-6-19-37-64)78(92-54-67-42-24-9-25-43-67)73(86)82(95-59)99-80-79(93-55-68-44-26-10-27-45-68)75(90-52-65-38-20-7-21-39-65)70(57-87-49-62-32-14-4-15-33-62)97-83(80)98-76-71(58-88-50-63-34-16-5-17-35-63)96-81(94-56-69-46-28-11-29-47-69)72(77(76)91-53-66-40-22-8-23-41-66)84(60(2)85)48-61-30-12-3-13-31-61/h3-47,59,70-83,86H,48-58H2,1-2H3
InChIKeyBVIJENJDZIMYPB-UHFFFAOYSA-N
XLogP13.31
TPSA160.53 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.62
LogP ≤ 513.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide with MolForge

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Related Compounds

N-benzyl-N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 122386137
[(2S,3R,4S,5R)-2-[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 101066091
(2S,3R,4S,5S,6S)-2-[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol
CID 11182376
(3S,4R,5R,6R)-2-methyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 167040761
[(2S,3R,4R,5R,6S)-3-acetamido-5-[(2S,3R,4S,5R,6R)-3-[(2S,3S,4S,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 163018648
(2S,3R,5S)-2,6-dimethyl-5-phenylmethoxy-4-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol
CID 59491334
(2S,4R,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-ol;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(2S,4R,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol;methane;(4R,5R)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 161004101
[(2S,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 102331110
(2S,3S,4S,5R,6R)-3-[(2S,3S,4S,5R,6R)-3-[(2S,3S,4S,5R,6R)-3-[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 87498109
[(4R,5S)-4-[(2S,4R,5S)-3-[(2S,4S,5S)-3,6-dimethyl-4-[(2S,5S,6R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-phenylmethoxyoxan-2-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,6-dimethyl-5-phenylmethoxyoxan-3-yl] acetate
CID 59491135
[(4S,5S)-4-[(2S,4S,5S)-3-[(2S,4R)-3,6-dimethyl-5-phenylmethoxy-4-[(2S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,6-dimethyl-5-phenylmethoxyoxan-3-yl] acetate
CID 173478054
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 102215626

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 162977288) is N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CC(=O)N(Cc1ccccc1)C1C(OCc2ccccc2)OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2O)C1OCc1ccccc1.
What is the InChIKey of N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is BVIJENJDZIMYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H89NO15/c1-59-74(89-51-64-36-18-6-19-37-64)78(92-54-67-42-24-9-25-43-67)73(86)82(95-59)99-80-79(93-55-68-44-26-10-27-45-68)75(90-52-65-38-20-7-21-39-65)70(57-87-49-62-32-14-4-15-33-62)97-83(80)98-76-71(58-88-50-63-34-16-5-17-35-63)96-81(94-56-69-46-28-11-29-47-69)72(77(76)91-53-66-40-22-8-23-41-66)84(60(2)85)48-61-30-12-3-13-31-61/h3-47,59,70-83,86H,48-58H2,1-2H3.
What are the key properties of N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 1340.62 g/mol, XLogP of 13.31, 33 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[5-[3-[3-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 162977288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).