3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C19H29N3O8 — CID 178101958

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 178101958) has the molecular formula C19H29N3O8 and a molecular weight of 427.45 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 178101958
• Molecular Formula: C19H29N3O8
• Molecular Weight: 427.45 g/mol
• Exact Mass: 427.20
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• SMILES: C=NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C19H29N3O8/c1-20-16(23)5-8-27-10-12-29-14-15-30-13-11-28-9-6-21-17(24)4-7-22-18(25)2-3-19(22)26/h2-3H,1,4-15H2,(H,21,24)
• InChIKey: VTHDQVXMROICAT-UHFFFAOYSA-N
• XLogP: -0.90
• TPSA: 132.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.45
LogP ≤ 5	-0.90
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': 'imine_1', '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-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 178101958) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

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

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is C=NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.

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

The InChIKey is VTHDQVXMROICAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O8/c1-20-16(23)5-8-27-10-12-29-14-15-30-13-11-28-9-6-21-17(24)4-7-22-18(25)2-3-19(22)26/h2-3H,1,4-15H2,(H,21,24).

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 427.45 g/mol, XLogP of -0.90, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 178101958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).