N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide

C21H26N2O6 — CID 143835784

About N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide

N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide (PubChem CID 143835784) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide
• PubChem CID: 143835784
• Molecular Formula: C21H26N2O6
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.18
• IUPAC Name: N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide
• SMILES: O=C(CO/N=C1\C=C\CC/C=C/CCOC(=O)c2ccc(O)cc2C1)NCCO
• InChI: InChI=1S/C21H26N2O6/c24-11-10-22-20(26)15-29-23-17-7-5-3-1-2-4-6-12-28-21(27)19-9-8-18(25)14-16(19)13-17/h2,4-5,7-9,14,24-25H,1,3,6,10-13,15H2,(H,22,26)/b4-2+,7-5+,23-17+
• InChIKey: JUCWGBALEMOWPM-SEKHEANFSA-N
• XLogP: 1.87
• TPSA: 117.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide?

The IUPAC name of N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide (CID 143835784) is N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide.

What is the SMILES notation for N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide?

The canonical SMILES for N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide is O=C(CO/N=C1\C=C\CC/C=C/CCOC(=O)c2ccc(O)cc2C1)NCCO.

What is the InChIKey of N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide?

The InChIKey is JUCWGBALEMOWPM-SEKHEANFSA-N. The full InChI is InChI=1S/C21H26N2O6/c24-11-10-22-20(26)15-29-23-17-7-5-3-1-2-4-6-12-28-21(27)19-9-8-18(25)14-16(19)13-17/h2,4-5,7-9,14,24-25H,1,3,6,10-13,15H2,(H,22,26)/b4-2+,7-5+,23-17+.

What are the key properties of N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide?

N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide has a molecular weight of 402.45 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-2-[(Z)-[(6E,10E)-16-hydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetamide is sourced from PubChem (CID 143835784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).