3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide

C14H22N2O5 — CID 171530100

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide (PubChem CID 171530100) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide
• PubChem CID: 171530100
• Molecular Formula: C14H22N2O5
• Molecular Weight: 298.34 g/mol
• Exact Mass: 298.15
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide
• SMILES: CCOCC(C)OCCNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C14H22N2O5/c1-3-20-10-11(2)21-9-7-15-12(17)6-8-16-13(18)4-5-14(16)19/h4-5,11H,3,6-10H2,1-2H3,(H,15,17)
• InChIKey: QUHAAYIANKUZMZ-UHFFFAOYSA-N
• XLogP: -0.14
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.34
LogP ≤ 5	-0.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide (CID 171530100) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide.

What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide?

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide is CCOCC(C)OCCNC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide?

The InChIKey is QUHAAYIANKUZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-3-20-10-11(2)21-9-7-15-12(17)6-8-16-13(18)4-5-14(16)19/h4-5,11H,3,6-10H2,1-2H3,(H,15,17).

What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide?

3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide has a molecular weight of 298.34 g/mol, XLogP of -0.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide is sourced from PubChem (CID 171530100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).