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

C15H23N3O6 — CID 122495929

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide
SMILESCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23N3O6/c1-16-12(19)5-8-23-10-11-24-9-6-17-13(20)4-7-18-14(21)2-3-15(18)22/h2-3H,4-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyYWGFEIGVXBQVCD-UHFFFAOYSA-N
MW341.36 g/mol
LogP-1.41
Rot. Bonds12

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide (PubChem CID 122495929) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide
PubChem CID122495929
Molecular FormulaC15H23N3O6
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide
SMILESCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23N3O6/c1-16-12(19)5-8-23-10-11-24-9-6-17-13(20)4-7-18-14(21)2-3-15(18)22/h2-3H,4-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyYWGFEIGVXBQVCD-UHFFFAOYSA-N
XLogP-1.41
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide (CID 122495929) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide is CNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide?
The InChIKey is YWGFEIGVXBQVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-16-12(19)5-8-23-10-11-24-9-6-17-13(20)4-7-18-14(21)2-3-15(18)22/h2-3H,4-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide has a molecular weight of 341.36 g/mol, XLogP of -1.41, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 122495929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).