2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide

C38H70N8O12 — CID 171046398

About 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide

2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide (PubChem CID 171046398) has the molecular formula C38H70N8O12 and a molecular weight of 831.02 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide
• PubChem CID: 171046398
• Molecular Formula: C38H70N8O12
• Molecular Weight: 831.02 g/mol
• Exact Mass: 830.51
• IUPAC Name: 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide
• SMILES: CCC(C)N(CC(N)=O)C(=O)CN(CC(C)O)C(=O)CN(CC(C)O)C(=O)CN(C(=O)CN(C(=O)CN(CC(C)O)C(=O)CN(C=O)CCO)C(C)CC)C(C)CC
• InChI: InChI=1S/C38H70N8O12/c1-10-26(4)44(18-32(39)52)36(56)21-43(17-31(9)51)34(54)20-41(15-29(7)49)35(55)23-45(27(5)11-2)38(58)24-46(28(6)12-3)37(57)22-42(16-30(8)50)33(53)19-40(25-48)13-14-47/h25-31,47,49-51H,10-24H2,1-9H3,(H2,39,52)
• InChIKey: CHTKYODIJWTWHK-UHFFFAOYSA-N
• XLogP: -2.57
• TPSA: 266.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 29
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.02
LogP ≤ 5	-2.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide?

The IUPAC name of 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide (CID 171046398) is 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide.

What is the SMILES notation for 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide?

The canonical SMILES for 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide is CCC(C)N(CC(N)=O)C(=O)CN(CC(C)O)C(=O)CN(CC(C)O)C(=O)CN(C(=O)CN(C(=O)CN(CC(C)O)C(=O)CN(C=O)CCO)C(C)CC)C(C)CC.

What is the InChIKey of 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide?

The InChIKey is CHTKYODIJWTWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H70N8O12/c1-10-26(4)44(18-32(39)52)36(56)21-43(17-31(9)51)34(54)20-41(15-29(7)49)35(55)23-45(27(5)11-2)38(58)24-46(28(6)12-3)37(57)22-42(16-30(8)50)33(53)19-40(25-48)13-14-47/h25-31,47,49-51H,10-24H2,1-9H3,(H2,39,52).

What are the key properties of 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide?

2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide has a molecular weight of 831.02 g/mol, XLogP of -2.57, 29 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[formyl(2-hydroxyethyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 171046398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).