3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide

C20H25N3O6 — CID 138744280

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide
SMILESO=C(CCOCCNC(=O)CCN1C(=O)C=CC1=O)NCCOc1ccccc1
InChIInChI=1S/C20H25N3O6/c24-17(8-12-23-19(26)6-7-20(23)27)21-10-14-28-13-9-18(25)22-11-15-29-16-4-2-1-3-5-16/h1-7H,8-15H2,(H,21,24)(H,22,25)
InChIKeyWMGZXAOZMXRCSS-UHFFFAOYSA-N
MW403.44 g/mol
LogP0.02
Rot. Bonds13

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide (PubChem CID 138744280) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide
PubChem CID138744280
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide
SMILESO=C(CCOCCNC(=O)CCN1C(=O)C=CC1=O)NCCOc1ccccc1
InChIInChI=1S/C20H25N3O6/c24-17(8-12-23-19(26)6-7-20(23)27)21-10-14-28-13-9-18(25)22-11-15-29-16-4-2-1-3-5-16/h1-7H,8-15H2,(H,21,24)(H,22,25)
InChIKeyWMGZXAOZMXRCSS-UHFFFAOYSA-N
XLogP0.02
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 50.02
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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Related Compounds

CID 88918488
CID 88918488
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propyl]propanamide
CID 170280660
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2,2-bis[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]methyl]-2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155906844
2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethyl hydrogen carbonate
CID 134600059
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid
CID 154725295
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 166809263
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;ethane
CID 156743442
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 135174898
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;ethane;molecular hydrogen
CID 162430872

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide (CID 138744280) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide is O=C(CCOCCNC(=O)CCN1C(=O)C=CC1=O)NCCOc1ccccc1.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide?
The InChIKey is WMGZXAOZMXRCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6/c24-17(8-12-23-19(26)6-7-20(23)27)21-10-14-28-13-9-18(25)22-11-15-29-16-4-2-1-3-5-16/h1-7H,8-15H2,(H,21,24)(H,22,25).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide has a molecular weight of 403.44 g/mol, XLogP of 0.02, 13 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-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide is sourced from PubChem (CID 138744280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).