3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine

C24H48N4O11 — CID 166534435

About 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine

3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine (PubChem CID 166534435) has the molecular formula C24H48N4O11 and a molecular weight of 568.67 g/mol. Its IUPAC name is 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine.

Molecular Properties

• Compound Name: 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine
• PubChem CID: 166534435
• Molecular Formula: C24H48N4O11
• Molecular Weight: 568.67 g/mol
• Exact Mass: 568.33
• IUPAC Name: 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine
• SMILES: CC(=O)NC(COCCC=O)(COCCC(=O)NCCOCCO)COCCC(=O)NCCOCCO.CN
• InChI: InChI=1S/C23H43N3O11.CH5N/c1-20(30)26-23(17-35-10-2-7-27,18-36-11-3-21(31)24-5-13-33-15-8-28)19-37-12-4-22(32)25-6-14-34-16-9-29;1-2/h7,28-29H,2-6,8-19H2,1H3,(H,24,31)(H,25,32)(H,26,30);2H2,1H3
• InChIKey: RWNAYEDKUHOVNI-UHFFFAOYSA-N
• XLogP: -2.89
• TPSA: 217.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	568.67
LogP ≤ 5	-2.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine?

The IUPAC name of 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine (CID 166534435) is 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine.

What is the SMILES notation for 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine?

The canonical SMILES for 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine is CC(=O)NC(COCCC=O)(COCCC(=O)NCCOCCO)COCCC(=O)NCCOCCO.CN.

What is the InChIKey of 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine?

The InChIKey is RWNAYEDKUHOVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3O11.CH5N/c1-20(30)26-23(17-35-10-2-7-27,18-36-11-3-21(31)24-5-13-33-15-8-28)19-37-12-4-22(32)25-6-14-34-16-9-29;1-2/h7,28-29H,2-6,8-19H2,1H3,(H,24,31)(H,25,32)(H,26,30);2H2,1H3.

What are the key properties of 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine?

3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine has a molecular weight of 568.67 g/mol, XLogP of -2.89, 26 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine is sourced from PubChem (CID 166534435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).