N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide

C83H102N6O12 — CID 123588892

About N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide

N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide (PubChem CID 123588892) has the molecular formula C83H102N6O12 and a molecular weight of 1375.76 g/mol. Its IUPAC name is N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
• PubChem CID: 123588892
• Molecular Formula: C83H102N6O12
• Molecular Weight: 1375.76 g/mol
• Exact Mass: 1374.76
• IUPAC Name: N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
• SMILES: Cc1cc(C)c2c(c1)C/C(=N/OCC(=O)N(C(C)C)C(C)C)C=CCC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N/OCC(=O)NCc1ccccc1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)NCc1ccccc1)/C=C/CC/C=C/CCOC2=O
• InChI: InChI=1S/2C28H32N2O4.C27H38N2O4/c2*1-21-16-22(2)27-24(17-21)18-25(14-10-5-3-4-6-11-15-33-28(27)32)30-34-20-26(31)29-19-23-12-8-7-9-13-23;1-19(2)29(20(3)4)25(30)18-33-28-24-13-11-9-7-8-10-12-14-32-27(31)26-22(6)15-21(5)16-23(26)17-24/h2*4,6-10,12-14,16-17H,3,5,11,15,18-20H2,1-2H3,(H,29,31);8,10-11,13,15-16,19-20H,7,9,12,14,17-18H2,1-6H3/b6-4+,14-10+,30-25+;6-4+,14-10+,30-25-;10-8+,13-11?,28-24+
• InChIKey: YWMLZOFVNBBKDO-KQKKLGSJSA-N
• XLogP: 15.29
• TPSA: 222.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.76
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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 N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide?

The IUPAC name of N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide (CID 123588892) is N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide.

What is the SMILES notation for N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide?

The canonical SMILES for N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide is Cc1cc(C)c2c(c1)C/C(=N/OCC(=O)N(C(C)C)C(C)C)C=CCC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N/OCC(=O)NCc1ccccc1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)NCc1ccccc1)/C=C/CC/C=C/CCOC2=O.

What is the InChIKey of N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide?

The InChIKey is YWMLZOFVNBBKDO-KQKKLGSJSA-N. The full InChI is InChI=1S/2C28H32N2O4.C27H38N2O4/c2*1-21-16-22(2)27-24(17-21)18-25(14-10-5-3-4-6-11-15-33-28(27)32)30-34-20-26(31)29-19-23-12-8-7-9-13-23;1-19(2)29(20(3)4)25(30)18-33-28-24-13-11-9-7-8-10-12-14-32-27(31)26-22(6)15-21(5)16-23(26)17-24/h2*4,6-10,12-14,16-17H,3,5,11,15,18-20H2,1-2H3,(H,29,31);8,10-11,13,15-16,19-20H,7,9,12,14,17-18H2,1-6H3/b6-4+,14-10+,30-25+;6-4+,14-10+,30-25-;10-8+,13-11?,28-24+.

What are the key properties of N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide?

N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide has a molecular weight of 1375.76 g/mol, XLogP of 15.29, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-benzyl-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]oxyacetamide;2-[(Z)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 123588892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).