N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide

C24H41N5O10 — CID 91209044

About N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide

N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide (PubChem CID 91209044) has the molecular formula C24H41N5O10 and a molecular weight of 559.62 g/mol. Its IUPAC name is N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide
• PubChem CID: 91209044
• Molecular Formula: C24H41N5O10
• Molecular Weight: 559.62 g/mol
• Exact Mass: 559.29
• IUPAC Name: N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide
• SMILES: CC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCNC(=O)CCn1c(O)cc(C)c1O
• InChI: InChI=1S/C24H41N5O10/c1-18-15-23(34)29(24(18)35)8-3-20(31)26-4-5-27-21(32)16-38-14-12-37-10-7-28-22(33)17-39-13-11-36-9-6-25-19(2)30/h15,34-35H,3-14,16-17H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)(H,28,33)
• InChIKey: XNUQWXRSFNKECJ-UHFFFAOYSA-N
• XLogP: -1.85
• TPSA: 198.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	559.62
LogP ≤ 5	-1.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide?

The IUPAC name of N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide (CID 91209044) is N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide.

What is the SMILES notation for N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide?

The canonical SMILES for N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide is CC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCNC(=O)CCn1c(O)cc(C)c1O.

What is the InChIKey of N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide?

The InChIKey is XNUQWXRSFNKECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O10/c1-18-15-23(34)29(24(18)35)8-3-20(31)26-4-5-27-21(32)16-38-14-12-37-10-7-28-22(33)17-39-13-11-36-9-6-25-19(2)30/h15,34-35H,3-14,16-17H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)(H,28,33).

What are the key properties of N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide?

N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide has a molecular weight of 559.62 g/mol, XLogP of -1.85, 22 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide is sourced from PubChem (CID 91209044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).