2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol

C24H42N4O7 — CID 169106463

IUPAC2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol
SMILESNCCOCCOCCOCCN/C=C(\NN)c1ccc(CCOC2CC(O)CC(CO)O2)cc1
InChIInChI=1S/C24H42N4O7/c25-6-9-31-11-13-33-14-12-32-10-7-27-17-23(28-26)20-3-1-19(2-4-20)5-8-34-24-16-21(30)15-22(18-29)35-24/h1-4,17,21-22,24,27-30H,5-16,18,25-26H2/b23-17-
InChIKeySDKQWHSJNXZAKU-QJOMJCCJSA-N
MW498.62 g/mol
LogP-0.54
Rot. Bonds19

About 2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol

2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol (PubChem CID 169106463) has the molecular formula C24H42N4O7 and a molecular weight of 498.62 g/mol. Its IUPAC name is 2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol
PubChem CID169106463
Molecular FormulaC24H42N4O7
Molecular Weight498.62 g/mol
Exact Mass498.31
IUPAC Name2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol
SMILESNCCOCCOCCOCCN/C=C(\NN)c1ccc(CCOC2CC(O)CC(CO)O2)cc1
InChIInChI=1S/C24H42N4O7/c25-6-9-31-11-13-33-14-12-32-10-7-27-17-23(28-26)20-3-1-19(2-4-20)5-8-34-24-16-21(30)15-22(18-29)35-24/h1-4,17,21-22,24,27-30H,5-16,18,25-26H2/b23-17-
InChIKeySDKQWHSJNXZAKU-QJOMJCCJSA-N
XLogP-0.54
TPSA162.71 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500498.62
LogP ≤ 5-0.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of 2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol (CID 169106463) is 2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for 2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for 2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol is NCCOCCOCCOCCN/C=C(\NN)c1ccc(CCOC2CC(O)CC(CO)O2)cc1.
What is the InChIKey of 2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is SDKQWHSJNXZAKU-QJOMJCCJSA-N. The full InChI is InChI=1S/C24H42N4O7/c25-6-9-31-11-13-33-14-12-32-10-7-27-17-23(28-26)20-3-1-19(2-4-20)5-8-34-24-16-21(30)15-22(18-29)35-24/h1-4,17,21-22,24,27-30H,5-16,18,25-26H2/b23-17-.
What are the key properties of 2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol?
2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 498.62 g/mol, XLogP of -0.54, 19 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(Z)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-hydrazinylethenyl]phenyl]ethoxy]-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 169106463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).