N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide

C25H37N3O6 — CID 54632699

About N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide

N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide (PubChem CID 54632699) has the molecular formula C25H37N3O6 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
• PubChem CID: 54632699
• Molecular Formula: C25H37N3O6
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.27
• IUPAC Name: N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
• SMILES: COCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]1C
• InChI: InChI=1S/C25H37N3O6/c1-16-12-28(23(29)15-32-4)17(2)14-34-21-10-9-19(26-24(30)18-7-6-8-18)11-20(21)25(31)27(3)13-22(16)33-5/h9-11,16-18,22H,6-8,12-15H2,1-5H3,(H,26,30)/t16-,17+,22-/m0/s1
• InChIKey: WEZMNWQXUMSVMO-JKSBSHDWSA-N
• XLogP: 2.40
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide?

The IUPAC name of N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide (CID 54632699) is N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide.

What is the SMILES notation for N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide?

The canonical SMILES for N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide is COCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H]1C.

What is the InChIKey of N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide?

The InChIKey is WEZMNWQXUMSVMO-JKSBSHDWSA-N. The full InChI is InChI=1S/C25H37N3O6/c1-16-12-28(23(29)15-32-4)17(2)14-34-21-10-9-19(26-24(30)18-7-6-8-18)11-20(21)25(31)27(3)13-22(16)33-5/h9-11,16-18,22H,6-8,12-15H2,1-5H3,(H,26,30)/t16-,17+,22-/m0/s1.

What are the key properties of N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide?

N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide has a molecular weight of 475.59 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide is sourced from PubChem (CID 54632699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).