N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide

C22H44INO8 — CID 170013617

About N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide

N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide (PubChem CID 170013617) has the molecular formula C22H44INO8 and a molecular weight of 577.50 g/mol. Its IUPAC name is N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide.

Molecular Properties

• Compound Name: N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide
• PubChem CID: 170013617
• Molecular Formula: C22H44INO8
• Molecular Weight: 577.50 g/mol
• Exact Mass: 577.21
• IUPAC Name: N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide
• SMILES: CCCOCCOCCOCCOCCC(=O)NC(COCC)(COCI)COCCC
• InChI: InChI=1S/C22H44INO8/c1-4-8-27-11-13-29-15-16-30-14-12-28-10-7-21(25)24-22(17-26-6-3,19-32-20-23)18-31-9-5-2/h4-20H2,1-3H3,(H,24,25)
• InChIKey: NOCKGXAQFFZYRG-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 93.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.50
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide?

The IUPAC name of N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide (CID 170013617) is N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide.

What is the SMILES notation for N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide?

The canonical SMILES for N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide is CCCOCCOCCOCCOCCC(=O)NC(COCC)(COCI)COCCC.

What is the InChIKey of N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide?

The InChIKey is NOCKGXAQFFZYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44INO8/c1-4-8-27-11-13-29-15-16-30-14-12-28-10-7-21(25)24-22(17-26-6-3,19-32-20-23)18-31-9-5-2/h4-20H2,1-3H3,(H,24,25).

What are the key properties of N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide?

N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide has a molecular weight of 577.50 g/mol, XLogP of 2.58, 25 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide is sourced from PubChem (CID 170013617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).