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

C14H21N3O5 — CID 118421443

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-2-11(18)15-6-9-22-10-7-16-12(19)5-8-17-13(20)3-4-14(17)21/h3-4H,2,5-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyJLMTYXOWCWTYJK-UHFFFAOYSA-N
MW311.34 g/mol
LogP-1.04
Rot. Bonds10

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide (PubChem CID 118421443) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide
PubChem CID118421443
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-2-11(18)15-6-9-22-10-7-16-12(19)5-8-17-13(20)3-4-14(17)21/h3-4H,2,5-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyJLMTYXOWCWTYJK-UHFFFAOYSA-N
XLogP-1.04
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[2-(2-aminoethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 91667266
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
Poly(oxy-1,2-ethanediyl), I+/--[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]propyl]-I-methoxy-
CID 58005097
1-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione
CID 22377694
N,N'-((Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide)
CID 59628078
alpha-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethyl]-omega-hydroxypoly(oxy-1,2-ethanediyl)
CID 68311348
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
1-[2-(2-Aminoethoxy)ethyl]pyrrole-2,5-dione
CID 53691548
Mal-PEG-amine TFA salt, MW 2,000
CID 178880542
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
CID 18345573
N-[2-[2-(dimethylamino)ethoxy]ethyl]prop-2-enamide
CID 20310793
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 21299486

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide (CID 118421443) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide is CCC(=O)NCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide?
The InChIKey is JLMTYXOWCWTYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-2-11(18)15-6-9-22-10-7-16-12(19)5-8-17-13(20)3-4-14(17)21/h3-4H,2,5-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide has a molecular weight of 311.34 g/mol, XLogP of -1.04, 10 rotatable bonds, 2 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-[2-(propanoylamino)ethoxy]ethyl]propanamide is sourced from PubChem (CID 118421443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).