(2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid

C41H74N2O11 — CID 152851169

About (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid

(2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid (PubChem CID 152851169) has the molecular formula C41H74N2O11 and a molecular weight of 771.05 g/mol. Its IUPAC name is (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid
• PubChem CID: 152851169
• Molecular Formula: C41H74N2O11
• Molecular Weight: 771.05 g/mol
• Exact Mass: 770.53
• IUPAC Name: (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid
• SMILES: CC(=O)CCCCCCCCCCCCCCCCC(=O)CC(CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)C(C)(C)C)C(=O)O
• InChI: InChI=1S/C41H74N2O11/c1-34(44)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-36(45)31-35(40(49)50)21-22-38(47)42-23-25-51-28-30-54-33-39(48)43-24-26-52-27-29-53-32-37(46)41(2,3)4/h35H,5-33H2,1-4H3,(H,42,47)(H,43,48)(H,49,50)
• InChIKey: TVJWXQJXNMBGQN-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 183.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 39
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.05
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid?

The IUPAC name of (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid (CID 152851169) is (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid.

What is the SMILES notation for (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid?

The canonical SMILES for (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid is CC(=O)CCCCCCCCCCCCCCCCC(=O)CC(CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)C(C)(C)C)C(=O)O.

What is the InChIKey of (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid?

The InChIKey is TVJWXQJXNMBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H74N2O11/c1-34(44)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-36(45)31-35(40(49)50)21-22-38(47)42-23-25-51-28-30-54-33-39(48)43-24-26-52-27-29-53-32-37(46)41(2,3)4/h35H,5-33H2,1-4H3,(H,42,47)(H,43,48)(H,49,50).

What are the key properties of (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid?

(2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid has a molecular weight of 771.05 g/mol, XLogP of 6.17, 39 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid is sourced from PubChem (CID 152851169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).