(4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide

C34H48N4O7 — CID 133075209

About (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide

(4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide (PubChem CID 133075209) has the molecular formula C34H48N4O7 and a molecular weight of 624.78 g/mol. Its IUPAC name is (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide.

Molecular Properties

• Compound Name: (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide
• PubChem CID: 133075209
• Molecular Formula: C34H48N4O7
• Molecular Weight: 624.78 g/mol
• Exact Mass: 624.35
• IUPAC Name: (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide
• SMILES: COc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)COc2ccccc2C(=O)N1
• InChI: InChI=1S/C34H48N4O7/c1-22(2)18-24-21-45-28-13-9-8-12-25(28)32(40)36-27(20-31(39)35-26(19-23(3)4)34(42)38(24)6)33(41)37(5)16-17-44-30-15-11-10-14-29(30)43-7/h8-15,22-24,26-27H,16-21H2,1-7H3,(H,35,39)(H,36,40)/t24-,26-,27+/m1/s1
• InChIKey: HYYQPCKIIPCGLT-IEUSDUHPSA-N
• XLogP: 3.52
• TPSA: 126.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.78
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide?

The IUPAC name of (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide (CID 133075209) is (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide.

What is the SMILES notation for (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide?

The canonical SMILES for (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide is COc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)COc2ccccc2C(=O)N1.

What is the InChIKey of (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide?

The InChIKey is HYYQPCKIIPCGLT-IEUSDUHPSA-N. The full InChI is InChI=1S/C34H48N4O7/c1-22(2)18-24-21-45-28-13-9-8-12-25(28)32(40)36-27(20-31(39)35-26(19-23(3)4)34(42)38(24)6)33(41)37(5)16-17-44-30-15-11-10-14-29(30)43-7/h8-15,22-24,26-27H,16-21H2,1-7H3,(H,35,39)(H,36,40)/t24-,26-,27+/m1/s1.

What are the key properties of (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide?

(4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide has a molecular weight of 624.78 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7R,11S)-N-[2-(2-methoxyphenoxy)ethyl]-N,5-dimethyl-4,7-bis(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide is sourced from PubChem (CID 133075209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).