[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

C26H30N4O8 — CID 24980263

About [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 24980263) has the molecular formula C26H30N4O8 and a molecular weight of 526.55 g/mol. Its IUPAC name is [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

• Compound Name: [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
• PubChem CID: 24980263
• Molecular Formula: C26H30N4O8
• Molecular Weight: 526.55 g/mol
• Exact Mass: 526.21
• IUPAC Name: [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
• SMILES: Cc1cccc(C(=O)NCC(=O)OCC(=O)NCCNC(=O)COC(=O)CNC(=O)c2cccc(C)c2)c1
• InChI: InChI=1S/C26H30N4O8/c1-17-5-3-7-19(11-17)25(35)29-13-23(33)37-15-21(31)27-9-10-28-22(32)16-38-24(34)14-30-26(36)20-8-4-6-18(2)12-20/h3-8,11-12H,9-10,13-16H2,1-2H3,(H,27,31)(H,28,32)(H,29,35)(H,30,36)
• InChIKey: YJUUJSVAMUXFPP-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 169.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.55
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	4
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 [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?

The IUPAC name of [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (CID 24980263) is [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.

What is the SMILES notation for [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?

The canonical SMILES for [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCC(=O)NCCNC(=O)COC(=O)CNC(=O)c2cccc(C)c2)c1.

What is the InChIKey of [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?

The InChIKey is YJUUJSVAMUXFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O8/c1-17-5-3-7-19(11-17)25(35)29-13-23(33)37-15-21(31)27-9-10-28-22(32)16-38-24(34)14-30-26(36)20-8-4-6-18(2)12-20/h3-8,11-12H,9-10,13-16H2,1-2H3,(H,27,31)(H,28,32)(H,29,35)(H,30,36).

What are the key properties of [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?

[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 526.55 g/mol, XLogP of -0.22, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 24980263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).