N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C22H31N3O6 — CID 138578170

About N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 138578170) has the molecular formula C22H31N3O6 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
• PubChem CID: 138578170
• Molecular Formula: C22H31N3O6
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.22
• IUPAC Name: N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
• SMILES: Nc1ccc(CCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)cc1
• InChI: InChI=1S/C22H31N3O6/c23-19-5-3-18(4-6-19)2-1-12-29-14-16-31-17-15-30-13-10-24-20(26)9-11-25-21(27)7-8-22(25)28/h3-8H,1-2,9-17,23H2,(H,24,26)
• InChIKey: LEDDYCIUZBJZSV-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 120.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

The IUPAC name of N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 138578170) is N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

What is the SMILES notation for N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

The canonical SMILES for N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is Nc1ccc(CCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)cc1.

What is the InChIKey of N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

The InChIKey is LEDDYCIUZBJZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6/c23-19-5-3-18(4-6-19)2-1-12-29-14-16-31-17-15-30-13-10-24-20(26)9-11-25-21(27)7-8-22(25)28/h3-8H,1-2,9-17,23H2,(H,24,26).

What are the key properties of N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 433.51 g/mol, XLogP of 0.68, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[3-(4-aminophenyl)propoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 138578170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).