N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide

C26H46N4O10 — CID 158343037

IUPACN-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide
SMILESCCCCC(=O)NCCOCc1cn(CCOCCOCCOCCOC[C@@]23CO[C@@H](O2)[C@H](C)[C@@H](O)[C@H]3O)nn1
InChIInChI=1S/C26H46N4O10/c1-3-4-5-22(31)27-6-8-37-17-21-16-30(29-28-21)7-9-34-10-11-35-12-13-36-14-15-38-18-26-19-39-25(40-26)20(2)23(32)24(26)33/h16,20,23-25,32-33H,3-15,17-19H2,1-2H3,(H,27,31)/t20-,23-,24-,25+,26+/m1/s1
InChIKeyRHHPUYDJOHBFRF-SWOLCGDXSA-N
MW574.67 g/mol
LogP-0.35
Rot. Bonds22

About N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide

N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide (PubChem CID 158343037) has the molecular formula C26H46N4O10 and a molecular weight of 574.67 g/mol. Its IUPAC name is N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide
PubChem CID158343037
Molecular FormulaC26H46N4O10
Molecular Weight574.67 g/mol
Exact Mass574.32
IUPAC NameN-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide
SMILESCCCCC(=O)NCCOCc1cn(CCOCCOCCOCCOC[C@@]23CO[C@@H](O2)[C@H](C)[C@@H](O)[C@H]3O)nn1
InChIInChI=1S/C26H46N4O10/c1-3-4-5-22(31)27-6-8-37-17-21-16-30(29-28-21)7-9-34-10-11-35-12-13-36-14-15-38-18-26-19-39-25(40-26)20(2)23(32)24(26)33/h16,20,23-25,32-33H,3-15,17-19H2,1-2H3,(H,27,31)/t20-,23-,24-,25+,26+/m1/s1
InChIKeyRHHPUYDJOHBFRF-SWOLCGDXSA-N
XLogP-0.35
TPSA164.88 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.67
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide?
The IUPAC name of N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide (CID 158343037) is N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide.
What is the SMILES notation for N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide?
The canonical SMILES for N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide is CCCCC(=O)NCCOCc1cn(CCOCCOCCOCCOC[C@@]23CO[C@@H](O2)[C@H](C)[C@@H](O)[C@H]3O)nn1.
What is the InChIKey of N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide?
The InChIKey is RHHPUYDJOHBFRF-SWOLCGDXSA-N. The full InChI is InChI=1S/C26H46N4O10/c1-3-4-5-22(31)27-6-8-37-17-21-16-30(29-28-21)7-9-34-10-11-35-12-13-36-14-15-38-18-26-19-39-25(40-26)20(2)23(32)24(26)33/h16,20,23-25,32-33H,3-15,17-19H2,1-2H3,(H,27,31)/t20-,23-,24-,25+,26+/m1/s1.
What are the key properties of N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide?
N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide has a molecular weight of 574.67 g/mol, XLogP of -0.35, 22 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]pentanamide is sourced from PubChem (CID 158343037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).