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

C29H59N7O4 — CID 86577708

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

N-[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide (PubChem CID 86577708) has the molecular formula C29H59N7O4 and a molecular weight of 569.84 g/mol. Its IUPAC name is N-[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide.

Molecular Properties

• Compound Name: N-[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide
• PubChem CID: 86577708
• Molecular Formula: C29H59N7O4
• Molecular Weight: 569.84 g/mol
• Exact Mass: 569.46
• IUPAC Name: N-[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide
• SMILES: CCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(N)=O
• InChI: InChI=1S/C29H59N7O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-26(37)34-24(17-14-21-31)28(39)36-25(18-15-22-32)29(40)35-23(27(33)38)16-13-20-30/h23-25H,2-22,30-32H2,1H3,(H2,33,38)(H,34,37)(H,35,40)(H,36,39)
• InChIKey: KGXDENLWEBWBDS-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 208.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 27
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.84
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

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-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide?

The IUPAC name of N-[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide (CID 86577708) is N-[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide.

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

The canonical SMILES for N-[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide is CCCCCCCCCCCCCC(=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-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide?

The InChIKey is KGXDENLWEBWBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59N7O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-26(37)34-24(17-14-21-31)28(39)36-25(18-15-22-32)29(40)35-23(27(33)38)16-13-20-30/h23-25H,2-22,30-32H2,1H3,(H2,33,38)(H,34,37)(H,35,40)(H,36,39).

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

N-[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide has a molecular weight of 569.84 g/mol, XLogP of 1.84, 27 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]tetradecanamide is sourced from PubChem (CID 86577708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).