2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate

C37H48N2O9 — CID 70059510

About 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate

2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate (PubChem CID 70059510) has the molecular formula C37H48N2O9 and a molecular weight of 664.80 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate.

Molecular Properties

• Compound Name: 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
• PubChem CID: 70059510
• Molecular Formula: C37H48N2O9
• Molecular Weight: 664.80 g/mol
• Exact Mass: 664.34
• IUPAC Name: 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
• SMILES: COCCOCCOC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccc(OCCOC)cc1)C(=O)NC1c2ccccc2CC1O
• InChI: InChI=1S/C37H48N2O9/c1-44-16-18-46-19-21-48-37(43)38-32(23-26-8-4-3-5-9-26)33(40)25-29(22-27-12-14-30(15-13-27)47-20-17-45-2)36(42)39-35-31-11-7-6-10-28(31)24-34(35)41/h3-15,29,32-35,40-41H,16-25H2,1-2H3,(H,38,43)(H,39,42)
• InChIKey: HZKUAKIEVJXIIG-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 144.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	664.80
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate?

The IUPAC name of 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate (CID 70059510) is 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate.

What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate?

The canonical SMILES for 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate is COCCOCCOC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccc(OCCOC)cc1)C(=O)NC1c2ccccc2CC1O.

What is the InChIKey of 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate?

The InChIKey is HZKUAKIEVJXIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48N2O9/c1-44-16-18-46-19-21-48-37(43)38-32(23-26-8-4-3-5-9-26)33(40)25-29(22-27-12-14-30(15-13-27)47-20-17-45-2)36(42)39-35-31-11-7-6-10-28(31)24-34(35)41/h3-15,29,32-35,40-41H,16-25H2,1-2H3,(H,38,43)(H,39,42).

What are the key properties of 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate?

2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate has a molecular weight of 664.80 g/mol, XLogP of 3.40, 20 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)ethyl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-[[4-(2-methoxyethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate is sourced from PubChem (CID 70059510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).