N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide

C54H91NO11 — CID 58939985

IUPACN-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide
SMILESCCC1OC(NC(=O)COc2ccccc2)C(O[C@@H]2OC(CC)[C@H](C)[C@H](O[C@@H]3OC(CC)[C@H](C)[C@H](O[C@@H]4OC(CC)[C@H](C)[C@H](O[C@@H]5OC(CC)[C@H](C)[C@H](C)C5C)C4C)C3C)C2C)[C@@H](C)[C@H]1C
InChIInChI=1S/C54H91NO11/c1-17-40-30(8)31(9)49(50(58-40)55-45(56)27-57-39-25-23-22-24-26-39)66-54-38(16)48(35(13)44(21-5)62-54)65-53-37(15)47(34(12)43(20-4)61-53)64-52-36(14)46(33(11)42(19-3)60-52)63-51-32(10)28(6)29(7)41(18-2)59-51/h22-26,28-38,40-44,46-54H,17-21,27H2,1-16H3,(H,55,56)/t28-,29+,30+,31-,32?,33-,34-,35-,36?,37?,38?,40?,41?,42?,43?,44?,46-,47-,48-,49?,50?,51-,52-,53-,54-/m0/s1
InChIKeyMRZGBBUFSOLWNU-AELBCSGISA-N
MW930.32 g/mol
LogP10.39
Rot. Bonds17

About N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide

N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide (PubChem CID 58939985) has the molecular formula C54H91NO11 and a molecular weight of 930.32 g/mol. Its IUPAC name is N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide
PubChem CID58939985
Molecular FormulaC54H91NO11
Molecular Weight930.32 g/mol
Exact Mass929.66
IUPAC NameN-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide
SMILESCCC1OC(NC(=O)COc2ccccc2)C(O[C@@H]2OC(CC)[C@H](C)[C@H](O[C@@H]3OC(CC)[C@H](C)[C@H](O[C@@H]4OC(CC)[C@H](C)[C@H](O[C@@H]5OC(CC)[C@H](C)[C@H](C)C5C)C4C)C3C)C2C)[C@@H](C)[C@H]1C
InChIInChI=1S/C54H91NO11/c1-17-40-30(8)31(9)49(50(58-40)55-45(56)27-57-39-25-23-22-24-26-39)66-54-38(16)48(35(13)44(21-5)62-54)65-53-37(15)47(34(12)43(20-4)61-53)64-52-36(14)46(33(11)42(19-3)60-52)63-51-32(10)28(6)29(7)41(18-2)59-51/h22-26,28-38,40-44,46-54H,17-21,27H2,1-16H3,(H,55,56)/t28-,29+,30+,31-,32?,33-,34-,35-,36?,37?,38?,40?,41?,42?,43?,44?,46-,47-,48-,49?,50?,51-,52-,53-,54-/m0/s1
InChIKeyMRZGBBUFSOLWNU-AELBCSGISA-N
XLogP10.39
TPSA121.40 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500930.32
LogP ≤ 510.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide (CID 58939985) is N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide is CCC1OC(NC(=O)COc2ccccc2)C(O[C@@H]2OC(CC)[C@H](C)[C@H](O[C@@H]3OC(CC)[C@H](C)[C@H](O[C@@H]4OC(CC)[C@H](C)[C@H](O[C@@H]5OC(CC)[C@H](C)[C@H](C)C5C)C4C)C3C)C2C)[C@@H](C)[C@H]1C.
What is the InChIKey of N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide?
The InChIKey is MRZGBBUFSOLWNU-AELBCSGISA-N. The full InChI is InChI=1S/C54H91NO11/c1-17-40-30(8)31(9)49(50(58-40)55-45(56)27-57-39-25-23-22-24-26-39)66-54-38(16)48(35(13)44(21-5)62-54)65-53-37(15)47(34(12)43(20-4)61-53)64-52-36(14)46(33(11)42(19-3)60-52)63-51-32(10)28(6)29(7)41(18-2)59-51/h22-26,28-38,40-44,46-54H,17-21,27H2,1-16H3,(H,55,56)/t28-,29+,30+,31-,32?,33-,34-,35-,36?,37?,38?,40?,41?,42?,43?,44?,46-,47-,48-,49?,50?,51-,52-,53-,54-/m0/s1.
What are the key properties of N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide?
N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide has a molecular weight of 930.32 g/mol, XLogP of 10.39, 17 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,5R)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 58939985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).