2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one

C94H121Cl2N9O19 — CID 172955309

About 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one

2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one (PubChem CID 172955309) has the molecular formula C94H121Cl2N9O19 and a molecular weight of 1751.95 g/mol. Its IUPAC name is 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one.

Molecular Properties

• Compound Name: 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
• PubChem CID: 172955309
• Molecular Formula: C94H121Cl2N9O19
• Molecular Weight: 1751.95 g/mol
• Exact Mass: 1749.82
• IUPAC Name: 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
• SMILES: Cc1cc(C)c2c(c1)CC(=N/OCC(=O)N1CCNCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)NCCO)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)NCCO)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)NCCO)/C=C/CC/C=C/CCOC2=O
• InChI: InChI=1S/C25H33N3O4.2C23H29ClN2O5.C23H30N2O5/c1-19-15-20(2)24-21(16-19)17-22(9-7-5-3-4-6-8-14-31-25(24)30)27-32-18-23(29)28-12-10-26-11-13-28;2*1-16-13-17(2)22(24)19-14-18(26-31-15-20(28)25-10-11-27)9-7-5-3-4-6-8-12-30-23(29)21(16)19;1-17-13-18(2)22-19(14-17)15-20(25-30-16-21(27)24-10-11-26)9-7-5-3-4-6-8-12-29-23(22)28/h4,6-7,9,15-16,26H,3,5,8,10-14,17-18H2,1-2H3;2*4,6-7,9,13,27H,3,5,8,10-12,14-15H2,1-2H3,(H,25,28);4,6-7,9,13-14,26H,3,5,8,10-12,15-16H2,1-2H3,(H,24,27)/b6-4+,9-7+,27-22+;6-4+,9-7+,26-18+;6-4+,9-7+,26-18-;6-4+,9-7+,25-20-
• InChIKey: KADZJFBMLOYINP-XAGFLESSSA-N
• XLogP: 12.75
• TPSA: 371.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1751.95
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?

The IUPAC name of 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one (CID 172955309) is 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one.

What is the SMILES notation for 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?

The canonical SMILES for 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one is Cc1cc(C)c2c(c1)CC(=N/OCC(=O)N1CCNCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)NCCO)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)NCCO)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)NCCO)/C=C/CC/C=C/CCOC2=O.

What is the InChIKey of 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?

The InChIKey is KADZJFBMLOYINP-XAGFLESSSA-N. The full InChI is InChI=1S/C25H33N3O4.2C23H29ClN2O5.C23H30N2O5/c1-19-15-20(2)24-21(16-19)17-22(9-7-5-3-4-6-8-14-31-25(24)30)27-32-18-23(29)28-12-10-26-11-13-28;2*1-16-13-17(2)22(24)19-14-18(26-31-15-20(28)25-10-11-27)9-7-5-3-4-6-8-12-30-23(29)21(16)19;1-17-13-18(2)22-19(14-17)15-20(25-30-16-21(27)24-10-11-26)9-7-5-3-4-6-8-12-29-23(22)28/h4,6-7,9,15-16,26H,3,5,8,10-14,17-18H2,1-2H3;2*4,6-7,9,13,27H,3,5,8,10-12,14-15H2,1-2H3,(H,25,28);4,6-7,9,13-14,26H,3,5,8,10-12,15-16H2,1-2H3,(H,24,27)/b6-4+,9-7+,27-22+;6-4+,9-7+,26-18+;6-4+,9-7+,26-18-;6-4+,9-7+,25-20-.

What are the key properties of 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?

2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one has a molecular weight of 1751.95 g/mol, XLogP of 12.75, 18 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one is sourced from PubChem (CID 172955309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).