5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane

C20H47N7O4 — CID 144733199

About 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane

5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane (PubChem CID 144733199) has the molecular formula C20H47N7O4 and a molecular weight of 449.64 g/mol. Its IUPAC name is 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane.

Molecular Properties

• Compound Name: 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane
• PubChem CID: 144733199
• Molecular Formula: C20H47N7O4
• Molecular Weight: 449.64 g/mol
• Exact Mass: 449.37
• IUPAC Name: 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane
• SMILES: CC.CC.CCNC(=O)C(CCCN)NC(=O)CN.NCCCCC(NC=O)C(N)=O
• InChI: InChI=1S/C9H20N4O2.C7H15N3O2.2C2H6/c1-2-12-9(15)7(4-3-5-10)13-8(14)6-11;8-4-2-1-3-6(7(9)12)10-5-11;2*1-2/h7H,2-6,10-11H2,1H3,(H,12,15)(H,13,14);5-6H,1-4,8H2,(H2,9,12)(H,10,11);2*1-2H3
• InChIKey: QKDHHUYKCJGWNJ-UHFFFAOYSA-N
• XLogP: -0.93
• TPSA: 208.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.64
LogP ≤ 5	-0.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane?

The IUPAC name of 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane (CID 144733199) is 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane.

What is the SMILES notation for 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane?

The canonical SMILES for 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane is CC.CC.CCNC(=O)C(CCCN)NC(=O)CN.NCCCCC(NC=O)C(N)=O.

What is the InChIKey of 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane?

The InChIKey is QKDHHUYKCJGWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2.C7H15N3O2.2C2H6/c1-2-12-9(15)7(4-3-5-10)13-8(14)6-11;8-4-2-1-3-6(7(9)12)10-5-11;2*1-2/h7H,2-6,10-11H2,1H3,(H,12,15)(H,13,14);5-6H,1-4,8H2,(H2,9,12)(H,10,11);2*1-2H3.

What are the key properties of 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane?

5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane has a molecular weight of 449.64 g/mol, XLogP of -0.93, 14 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane is sourced from PubChem (CID 144733199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).