N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide

C30H39N3O6 — CID 54637474

About N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide

N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide (PubChem CID 54637474) has the molecular formula C30H39N3O6 and a molecular weight of 537.66 g/mol. Its IUPAC name is N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide
• PubChem CID: 54637474
• Molecular Formula: C30H39N3O6
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.28
• IUPAC Name: N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C(=O)C2CCC2)C[C@@H](C)[C@H](OC)CN(C)C3=O)c1
• InChI: InChI=1S/C30H39N3O6/c1-19-16-33(29(35)21-8-6-9-21)20(2)18-39-26-15-23(31-28(34)22-10-7-11-24(14-22)37-4)12-13-25(26)30(36)32(3)17-27(19)38-5/h7,10-15,19-21,27H,6,8-9,16-18H2,1-5H3,(H,31,34)/t19-,20-,27-/m1/s1
• InChIKey: AZWHSIASRGUVOW-SEXOINJZSA-N
• XLogP: 4.08
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide?

The IUPAC name of N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide (CID 54637474) is N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide.

What is the SMILES notation for N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide?

The canonical SMILES for N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C(=O)C2CCC2)C[C@@H](C)[C@H](OC)CN(C)C3=O)c1.

What is the InChIKey of N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide?

The InChIKey is AZWHSIASRGUVOW-SEXOINJZSA-N. The full InChI is InChI=1S/C30H39N3O6/c1-19-16-33(29(35)21-8-6-9-21)20(2)18-39-26-15-23(31-28(34)22-10-7-11-24(14-22)37-4)12-13-25(26)30(36)32(3)17-27(19)38-5/h7,10-15,19-21,27H,6,8-9,16-18H2,1-5H3,(H,31,34)/t19-,20-,27-/m1/s1.

What are the key properties of N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide?

N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide has a molecular weight of 537.66 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R,7R,8S)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-methoxybenzamide is sourced from PubChem (CID 54637474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).