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

C26H40N4O6 — CID 54636037

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

N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide (PubChem CID 54636037) has the molecular formula C26H40N4O6 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide.

Molecular Properties

• Compound Name: N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
• PubChem CID: 54636037
• Molecular Formula: C26H40N4O6
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.29
• IUPAC Name: N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
• SMILES: CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CN1CCOCC1)[C@H](C)CO2
• InChI: InChI=1S/C26H40N4O6/c1-6-24(31)27-20-7-8-22-21(13-20)26(33)28(4)15-23(34-5)18(2)14-30(19(3)17-36-22)25(32)16-29-9-11-35-12-10-29/h7-8,13,18-19,23H,6,9-12,14-17H2,1-5H3,(H,27,31)/t18-,19-,23+/m1/s1
• InChIKey: OVEBPCWCYFGSNX-PWHSHALESA-N
• XLogP: 1.70
• TPSA: 100.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide (CID 54636037) is N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide.

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

The canonical SMILES for N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide is CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CN1CCOCC1)[C@H](C)CO2.

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

The InChIKey is OVEBPCWCYFGSNX-PWHSHALESA-N. The full InChI is InChI=1S/C26H40N4O6/c1-6-24(31)27-20-7-8-22-21(13-20)26(33)28(4)15-23(34-5)18(2)14-30(19(3)17-36-22)25(32)16-29-9-11-35-12-10-29/h7-8,13,18-19,23H,6,9-12,14-17H2,1-5H3,(H,27,31)/t18-,19-,23+/m1/s1.

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

N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide has a molecular weight of 504.63 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide is sourced from PubChem (CID 54636037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).