4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide

C23H43N5O9 — CID 144963347

About 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide

4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide (PubChem CID 144963347) has the molecular formula C23H43N5O9 and a molecular weight of 533.62 g/mol. Its IUPAC name is 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide.

Molecular Properties

• Compound Name: 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide
• PubChem CID: 144963347
• Molecular Formula: C23H43N5O9
• Molecular Weight: 533.62 g/mol
• Exact Mass: 533.31
• IUPAC Name: 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide
• SMILES: NCCCC(=O)NCCOCc1cn(CCOCCOCCOCCOCC2OCCC(O)C2O)nn1
• InChI: InChI=1S/C23H43N5O9/c24-4-1-2-22(30)25-5-8-35-17-19-16-28(27-26-19)6-9-32-10-11-33-12-13-34-14-15-36-18-21-23(31)20(29)3-7-37-21/h16,20-21,23,29,31H,1-15,17-18,24H2,(H,25,30)
• InChIKey: RTTHUGVZDCCJLM-UHFFFAOYSA-N
• XLogP: -1.77
• TPSA: 181.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.62
LogP ≤ 5	-1.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide?

The IUPAC name of 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide (CID 144963347) is 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide.

What is the SMILES notation for 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide?

The canonical SMILES for 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide is NCCCC(=O)NCCOCc1cn(CCOCCOCCOCCOCC2OCCC(O)C2O)nn1.

What is the InChIKey of 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide?

The InChIKey is RTTHUGVZDCCJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N5O9/c24-4-1-2-22(30)25-5-8-35-17-19-16-28(27-26-19)6-9-32-10-11-33-12-13-34-14-15-36-18-21-23(31)20(29)3-7-37-21/h16,20-21,23,29,31H,1-15,17-18,24H2,(H,25,30).

What are the key properties of 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide?

4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide has a molecular weight of 533.62 g/mol, XLogP of -1.77, 22 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide is sourced from PubChem (CID 144963347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).