N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide

C13H20N2O4 — CID 59289119

IUPACN-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O4/c1-2-3-9-19-10-7-14-11(16)6-8-15-12(17)4-5-13(15)18/h4-5H,2-3,6-10H2,1H3,(H,14,16)
InChIKeyOIAGNRRLCRPVII-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.23
Rot. Bonds9

About N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide

N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 59289119) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID59289119
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O4/c1-2-3-9-19-10-7-14-11(16)6-8-15-12(17)4-5-13(15)18/h4-5H,2-3,6-10H2,1H3,(H,14,16)
InChIKeyOIAGNRRLCRPVII-UHFFFAOYSA-N
XLogP0.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
CID 18345573
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
CID 22961656
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 22964483
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
m-PEG4-Mal
CID 51341049

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 59289119) is N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is CCCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is OIAGNRRLCRPVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-3-9-19-10-7-14-11(16)6-8-15-12(17)4-5-13(15)18/h4-5H,2-3,6-10H2,1H3,(H,14,16).
What are the key properties of N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 268.31 g/mol, XLogP of 0.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 59289119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).