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

C13H20N2O6 — CID 58685972

IUPAC3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide
SMILESNC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O6/c14-11(16)3-5-19-7-9-21-10-8-20-6-4-15-12(17)1-2-13(15)18/h1-2H,3-10H2,(H2,14,16)
InChIKeyLNVUOQMIVTYHSC-UHFFFAOYSA-N
MW300.31 g/mol
LogP-1.16
Rot. Bonds12

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

3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 58685972) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide
PubChem CID58685972
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide
SMILESNC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O6/c14-11(16)3-5-19-7-9-21-10-8-20-6-4-15-12(17)1-2-13(15)18/h1-2H,3-10H2,(H2,14,16)
InChIKeyLNVUOQMIVTYHSC-UHFFFAOYSA-N
XLogP-1.16
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
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

Bis-(maleimidoethoxy) ethane
CID 3690297
1,11-Bis(maleimido)-3,6,9-trioxaundecane
CID 3331999
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
1-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione
CID 22377694
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
N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
CID 23502085
1-[2-[2-(2-Propoxyethoxy)ethoxy]ethyl]pyrrole-2,5-dione
CID 57773869
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide
CID 58112360
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 58537159
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 58749047
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]propanamide
CID 59256336

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide?
The IUPAC name of 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide (CID 58685972) is 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide.
What is the SMILES notation for 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide?
The canonical SMILES for 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide is NC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide?
The InChIKey is LNVUOQMIVTYHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c14-11(16)3-5-19-7-9-21-10-8-20-6-4-15-12(17)1-2-13(15)18/h1-2H,3-10H2,(H2,14,16).
What are the key properties of 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide?
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 300.31 g/mol, XLogP of -1.16, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 58685972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).