N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide

C38H77N9O5 — CID 86577788

About N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide

N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide (PubChem CID 86577788) has the molecular formula C38H77N9O5 and a molecular weight of 740.09 g/mol. Its IUPAC name is N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide.

Molecular Properties

• Compound Name: N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide
• PubChem CID: 86577788
• Molecular Formula: C38H77N9O5
• Molecular Weight: 740.09 g/mol
• Exact Mass: 739.60
• IUPAC Name: N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(N)=O
• InChI: InChI=1S/C38H77N9O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-34(48)44-31(22-18-27-40)36(50)46-33(24-20-29-42)38(52)47-32(23-19-28-41)37(51)45-30(35(43)49)21-17-26-39/h30-33H,2-29,39-42H2,1H3,(H2,43,49)(H,44,48)(H,45,51)(H,46,50)(H,47,52)
• InChIKey: WCOQDGHXKRBHTH-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 263.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 36
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.09
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide (CID 86577788) is N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide.

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

The canonical SMILES for N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(N)=O.

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

The InChIKey is WCOQDGHXKRBHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H77N9O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-34(48)44-31(22-18-27-40)36(50)46-33(24-20-29-42)38(52)47-32(23-19-28-41)37(51)45-30(35(43)49)21-17-26-39/h30-33H,2-29,39-42H2,1H3,(H2,43,49)(H,44,48)(H,45,51)(H,46,50)(H,47,52).

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

N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide has a molecular weight of 740.09 g/mol, XLogP of 2.63, 36 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octadecanamide is sourced from PubChem (CID 86577788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).