N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide

C30H40ClN3O7 — CID 121367047

About N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide

N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide (PubChem CID 121367047) has the molecular formula C30H40ClN3O7 and a molecular weight of 590.12 g/mol. Its IUPAC name is N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide
• PubChem CID: 121367047
• Molecular Formula: C30H40ClN3O7
• Molecular Weight: 590.12 g/mol
• Exact Mass: 589.26
• IUPAC Name: N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide
• SMILES: CC(=O)NCCCOC1/C=C/C[C@@H](C)OC(=O)c2ccc(O)c(Cl)c2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1
• InChI: InChI=1S/C30H40ClN3O7/c1-21-9-6-11-24(39-18-8-15-32-22(2)35)12-7-10-23(33-40-20-28(37)34-16-4-3-5-17-34)19-26-25(30(38)41-21)13-14-27(36)29(26)31/h6-7,10-11,13-14,21,24,36H,3-5,8-9,12,15-20H2,1-2H3,(H,32,35)/b10-7+,11-6+,33-23+/t21-,24?/m1/s1
• InChIKey: VJCOOWQXMLWTTD-OHNRHSPOSA-N
• XLogP: 4.34
• TPSA: 126.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.12
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide?

The IUPAC name of N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide (CID 121367047) is N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide.

What is the SMILES notation for N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide?

The canonical SMILES for N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide is CC(=O)NCCCOC1/C=C/C[C@@H](C)OC(=O)c2ccc(O)c(Cl)c2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.

What is the InChIKey of N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide?

The InChIKey is VJCOOWQXMLWTTD-OHNRHSPOSA-N. The full InChI is InChI=1S/C30H40ClN3O7/c1-21-9-6-11-24(39-18-8-15-32-22(2)35)12-7-10-23(33-40-20-28(37)34-16-4-3-5-17-34)19-26-25(30(38)41-21)13-14-27(36)29(26)31/h6-7,10-11,13-14,21,24,36H,3-5,8-9,12,15-20H2,1-2H3,(H,32,35)/b10-7+,11-6+,33-23+/t21-,24?/m1/s1.

What are the key properties of N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide?

N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide has a molecular weight of 590.12 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(4R,6E,10E,12Z)-15-chloro-16-hydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]propyl]acetamide is sourced from PubChem (CID 121367047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).