3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide

C19H38N4O5 — CID 167491639

About 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide

3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide (PubChem CID 167491639) has the molecular formula C19H38N4O5 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide.

Molecular Properties

• Compound Name: 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide
• PubChem CID: 167491639
• Molecular Formula: C19H38N4O5
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.28
• IUPAC Name: 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide
• SMILES: CC(C)NC(=O)CCOCC(COCCC(N)=O)NC(=O)C(C)(C)C(C)(C)N
• InChI: InChI=1S/C19H38N4O5/c1-13(2)22-16(25)8-10-28-12-14(11-27-9-7-15(20)24)23-17(26)18(3,4)19(5,6)21/h13-14H,7-12,21H2,1-6H3,(H2,20,24)(H,22,25)(H,23,26)
• InChIKey: YODJHHXEYOLCLJ-UHFFFAOYSA-N
• XLogP: 0.06
• TPSA: 145.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	0.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide?

The IUPAC name of 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide (CID 167491639) is 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide.

What is the SMILES notation for 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide?

The canonical SMILES for 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide is CC(C)NC(=O)CCOCC(COCCC(N)=O)NC(=O)C(C)(C)C(C)(C)N.

What is the InChIKey of 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide?

The InChIKey is YODJHHXEYOLCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O5/c1-13(2)22-16(25)8-10-28-12-14(11-27-9-7-15(20)24)23-17(26)18(3,4)19(5,6)21/h13-14H,7-12,21H2,1-6H3,(H2,20,24)(H,22,25)(H,23,26).

What are the key properties of 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide?

3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide has a molecular weight of 402.54 g/mol, XLogP of 0.06, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 167491639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).