12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide

C37H74N8O5 — CID 147465259

About 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide

12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide (PubChem CID 147465259) has the molecular formula C37H74N8O5 and a molecular weight of 711.05 g/mol. Its IUPAC name is 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide.

Molecular Properties

• Compound Name: 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide
• PubChem CID: 147465259
• Molecular Formula: C37H74N8O5
• Molecular Weight: 711.05 g/mol
• Exact Mass: 710.58
• IUPAC Name: 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide
• SMILES: CCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NCCCCCCCCCCCC(=O)NC(CCCN)C(N)=O
• InChI: InChI=1S/C37H74N8O5/c1-2-3-4-5-9-12-16-25-34(47)44-32(23-20-28-40)37(50)45-31(22-19-27-39)36(49)42-29-17-14-11-8-6-7-10-13-15-24-33(46)43-30(35(41)48)21-18-26-38/h30-32H,2-29,38-40H2,1H3,(H2,41,48)(H,42,49)(H,43,46)(H,44,47)(H,45,50)
• InChIKey: FARUTGJRIMSWRM-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 237.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 35
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.05
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide?

The IUPAC name of 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide (CID 147465259) is 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide.

What is the SMILES notation for 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide?

The canonical SMILES for 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide is CCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NCCCCCCCCCCCC(=O)NC(CCCN)C(N)=O.

What is the InChIKey of 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide?

The InChIKey is FARUTGJRIMSWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74N8O5/c1-2-3-4-5-9-12-16-25-34(47)44-32(23-20-28-40)37(50)45-31(22-19-27-39)36(49)42-29-17-14-11-8-6-7-10-13-15-24-33(46)43-30(35(41)48)21-18-26-38/h30-32H,2-29,38-40H2,1H3,(H2,41,48)(H,42,49)(H,43,46)(H,44,47)(H,45,50).

What are the key properties of 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide?

12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide has a molecular weight of 711.05 g/mol, XLogP of 3.30, 35 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide is sourced from PubChem (CID 147465259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).