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

C15H21N3O7 — CID 169179123

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide
SMILESO=CCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H21N3O7/c19-7-4-16-13(21)11-25-10-9-24-8-5-17-12(20)3-6-18-14(22)1-2-15(18)23/h1-2,7H,3-6,8-11H2,(H,16,21)(H,17,20)
InChIKeyKCBVNGWFJOQXID-UHFFFAOYSA-N
MW355.35 g/mol
LogP-2.23
Rot. Bonds13

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 169179123) has the molecular formula C15H21N3O7 and a molecular weight of 355.35 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide
PubChem CID169179123
Molecular FormulaC15H21N3O7
Molecular Weight355.35 g/mol
Exact Mass355.14
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide
SMILESO=CCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H21N3O7/c19-7-4-16-13(21)11-25-10-9-24-8-5-17-12(20)3-6-18-14(22)1-2-15(18)23/h1-2,7H,3-6,8-11H2,(H,16,21)(H,17,20)
InChIKeyKCBVNGWFJOQXID-UHFFFAOYSA-N
XLogP-2.23
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 5-2.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 166809263
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-[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-(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
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;ethane;molecular hydrogen
CID 162430872
20-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-20-oxoicosanoic acid
CID 87535640
N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 58932741
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
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 154803621

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide (CID 169179123) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide is O=CCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is KCBVNGWFJOQXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O7/c19-7-4-16-13(21)11-25-10-9-24-8-5-17-12(20)3-6-18-14(22)1-2-15(18)23/h1-2,7H,3-6,8-11H2,(H,16,21)(H,17,20).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 355.35 g/mol, XLogP of -2.23, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-oxo-2-(2-oxoethylamino)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 169179123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).