molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide

C25H54N2O10 — CID 176953270

About molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide

molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide (PubChem CID 176953270) has the molecular formula C25H54N2O10 and a molecular weight of 542.71 g/mol. Its IUPAC name is molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide.

Molecular Properties

• Compound Name: molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
• PubChem CID: 176953270
• Molecular Formula: C25H54N2O10
• Molecular Weight: 542.71 g/mol
• Exact Mass: 542.38
• IUPAC Name: molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
• SMILES: CCCOCCOCCOCC(=O)NCCOCCC(=O)NCCOCCOCCOCCOC(C)C.[H][H].[H][H]
• InChI: InChI=1S/C25H50N2O10.2H2/c1-4-8-30-12-14-34-18-19-36-22-25(29)27-7-10-31-9-5-24(28)26-6-11-32-13-15-33-16-17-35-20-21-37-23(2)3;;/h23H,4-22H2,1-3H3,(H,26,28)(H,27,29);2*1H
• InChIKey: VDYCOUVCBYRMEL-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 132.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 29
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.71
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	2
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 molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide?

The IUPAC name of molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide (CID 176953270) is molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide.

What is the SMILES notation for molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide?

The canonical SMILES for molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide is CCCOCCOCCOCC(=O)NCCOCCC(=O)NCCOCCOCCOCCOC(C)C.[H][H].[H][H].

What is the InChIKey of molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide?

The InChIKey is VDYCOUVCBYRMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O10.2H2/c1-4-8-30-12-14-34-18-19-36-22-25(29)27-7-10-31-9-5-24(28)26-6-11-32-13-15-33-16-17-35-20-21-37-23(2)3;;/h23H,4-22H2,1-3H3,(H,26,28)(H,27,29);2*1H.

What are the key properties of molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide?

molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide has a molecular weight of 542.71 g/mol, XLogP of 1.05, 29 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide is sourced from PubChem (CID 176953270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).