2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide

C48H96N6O18 — CID 166479461

IUPAC2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide
SMILESC=C/C=C\C(=O)N(C)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC/N=C/C(CCO)=N\N.CC.CC.OC1CCOC(CCN(O)O)C1
InChIInChI=1S/C37H69N5O14.C7H15NO4.2C2H6/c1-3-4-5-37(45)42(2)10-6-36(44)40-9-13-47-15-17-49-19-21-51-23-25-53-27-29-55-31-33-56-32-30-54-28-26-52-24-22-50-20-18-48-16-14-46-12-8-39-34-35(41-38)7-11-43;9-6-2-4-12-7(5-6)1-3-8(10)11;2*1-2/h3-5,34,43H,1,6-33,38H2,2H3,(H,40,44);6-7,9-11H,1-5H2;2*1-2H3/b5-4-,39-34+,41-35-;;;
InChIKeyXOQQNMCTZXZERF-TVODUUEXSA-N
MW1045.32 g/mol
LogP1.69
Rot. Bonds47

About 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide

2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide (PubChem CID 166479461) has the molecular formula C48H96N6O18 and a molecular weight of 1045.32 g/mol. Its IUPAC name is 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide
PubChem CID166479461
Molecular FormulaC48H96N6O18
Molecular Weight1045.32 g/mol
Exact Mass1044.68
IUPAC Name2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide
SMILESC=C/C=C\C(=O)N(C)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC/N=C/C(CCO)=N\N.CC.CC.OC1CCOC(CCN(O)O)C1
InChIInChI=1S/C37H69N5O14.C7H15NO4.2C2H6/c1-3-4-5-37(45)42(2)10-6-36(44)40-9-13-47-15-17-49-19-21-51-23-25-53-27-29-55-31-33-56-32-30-54-28-26-52-24-22-50-20-18-48-16-14-46-12-8-39-34-35(41-38)7-11-43;9-6-2-4-12-7(5-6)1-3-8(10)11;2*1-2/h3-5,34,43H,1,6-33,38H2,2H3,(H,40,44);6-7,9-11H,1-5H2;2*1-2H3/b5-4-,39-34+,41-35-;;;
InChIKeyXOQQNMCTZXZERF-TVODUUEXSA-N
XLogP1.69
TPSA295.07 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds47
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001045.32
LogP ≤ 51.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide with MolForge

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Related Compounds

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CID 166478962
(2,3,4,5,6-pentafluorophenyl) 3-[2-[[4-[(2S,5S)-6-[2-(dihydroxyamino)ethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]propanoate
CID 174034286
N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
CID 63953367
(2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate
CID 178103582
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CID 89140505
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 84566567
ethane;3-[methyl-[(Z)-4-oxobut-2-enimidoyl]amino]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;propane
CID 178094533
2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide
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N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide?
The IUPAC name of 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide (CID 166479461) is 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide.
What is the SMILES notation for 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide?
The canonical SMILES for 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide is C=C/C=C\C(=O)N(C)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC/N=C/C(CCO)=N\N.CC.CC.OC1CCOC(CCN(O)O)C1.
What is the InChIKey of 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide?
The InChIKey is XOQQNMCTZXZERF-TVODUUEXSA-N. The full InChI is InChI=1S/C37H69N5O14.C7H15NO4.2C2H6/c1-3-4-5-37(45)42(2)10-6-36(44)40-9-13-47-15-17-49-19-21-51-23-25-53-27-29-55-31-33-56-32-30-54-28-26-52-24-22-50-20-18-48-16-14-46-12-8-39-34-35(41-38)7-11-43;9-6-2-4-12-7(5-6)1-3-8(10)11;2*1-2/h3-5,34,43H,1,6-33,38H2,2H3,(H,40,44);6-7,9-11H,1-5H2;2*1-2H3/b5-4-,39-34+,41-35-;;;.
What are the key properties of 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide?
2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide has a molecular weight of 1045.32 g/mol, XLogP of 1.69, 47 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dihydroxyamino)ethyl]oxan-4-ol;ethane;(2Z)-N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-2-hydrazinylidene-4-hydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-N-methylpenta-2,4-dienamide is sourced from PubChem (CID 166479461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).