N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide

C24H44N4O8 — CID 90963090

About N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide

N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide (PubChem CID 90963090) has the molecular formula C24H44N4O8 and a molecular weight of 516.64 g/mol. Its IUPAC name is N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide
• PubChem CID: 90963090
• Molecular Formula: C24H44N4O8
• Molecular Weight: 516.64 g/mol
• Exact Mass: 516.32
• IUPAC Name: N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide
• SMILES: COC(C)(C)CCOC(C)(N)C(=O)NCCOCCOCCNC(=O)CCCn1c(O)cc(C)c1O
• InChI: InChI=1S/C24H44N4O8/c1-18-17-20(30)28(21(18)31)11-6-7-19(29)26-9-13-34-15-16-35-14-10-27-22(32)24(4,25)36-12-8-23(2,3)33-5/h17,30-31H,6-16,25H2,1-5H3,(H,26,29)(H,27,32)
• InChIKey: WLUCYXVZEADUTQ-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 166.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.64
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide?

The IUPAC name of N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide (CID 90963090) is N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide.

What is the SMILES notation for N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide?

The canonical SMILES for N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide is COC(C)(C)CCOC(C)(N)C(=O)NCCOCCOCCNC(=O)CCCn1c(O)cc(C)c1O.

What is the InChIKey of N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide?

The InChIKey is WLUCYXVZEADUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O8/c1-18-17-20(30)28(21(18)31)11-6-7-19(29)26-9-13-34-15-16-35-14-10-27-22(32)24(4,25)36-12-8-23(2,3)33-5/h17,30-31H,6-16,25H2,1-5H3,(H,26,29)(H,27,32).

What are the key properties of N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide?

N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide has a molecular weight of 516.64 g/mol, XLogP of 0.76, 19 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide is sourced from PubChem (CID 90963090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).