1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid

C32H30N2O10 — CID 148921096

About 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid

1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid (PubChem CID 148921096) has the molecular formula C32H30N2O10 and a molecular weight of 602.60 g/mol. Its IUPAC name is 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid.

Molecular Properties

• Compound Name: 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid
• PubChem CID: 148921096
• Molecular Formula: C32H30N2O10
• Molecular Weight: 602.60 g/mol
• Exact Mass: 602.19
• IUPAC Name: 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid
• SMILES: NC(=O)c1c(C(=O)NCCOCCOCCOCCO)c(C(=O)O)c2c(C(=O)O)ccc3c4cccc5cccc(c1c23)c54
• InChI: InChI=1S/C32H30N2O10/c33-29(36)26-24-20-6-2-4-17-3-1-5-18(22(17)20)19-7-8-21(31(38)39)25(23(19)24)28(32(40)41)27(26)30(37)34-9-11-42-13-15-44-16-14-43-12-10-35/h1-8,35H,9-16H2,(H2,33,36)(H,34,37)(H,38,39)(H,40,41)
• InChIKey: FSVQOFOCPVIQGI-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 194.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.60
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid?

The IUPAC name of 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid (CID 148921096) is 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid.

What is the SMILES notation for 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid?

The canonical SMILES for 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid is NC(=O)c1c(C(=O)NCCOCCOCCOCCO)c(C(=O)O)c2c(C(=O)O)ccc3c4cccc5cccc(c1c23)c54.

What is the InChIKey of 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid?

The InChIKey is FSVQOFOCPVIQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O10/c33-29(36)26-24-20-6-2-4-17-3-1-5-18(22(17)20)19-7-8-21(31(38)39)25(23(19)24)28(32(40)41)27(26)30(37)34-9-11-42-13-15-44-16-14-43-12-10-35/h1-8,35H,9-16H2,(H2,33,36)(H,34,37)(H,38,39)(H,40,41).

What are the key properties of 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid?

1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid has a molecular weight of 602.60 g/mol, XLogP of 3.00, 15 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-carbamoyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]perylene-3,4-dicarboxylic acid is sourced from PubChem (CID 148921096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).