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

C14H22N2O4 — CID 170538626

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide
SMILESCC(C)CCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O4/c1-11(2)6-9-20-10-7-15-12(17)5-8-16-13(18)3-4-14(16)19/h3-4,11H,5-10H2,1-2H3,(H,15,17)
InChIKeyBJSWFGKIVUUUMV-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.48
Rot. Bonds9

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide (PubChem CID 170538626) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide
PubChem CID170538626
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide
SMILESCC(C)CCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O4/c1-11(2)6-9-20-10-7-15-12(17)5-8-16-13(18)3-4-14(16)19/h3-4,11H,5-10H2,1-2H3,(H,15,17)
InChIKeyBJSWFGKIVUUUMV-UHFFFAOYSA-N
XLogP0.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.48
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
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
CID 22961656
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
m-PEG4-Mal
CID 51341049
m-PEG8-Mal
CID 51341050
1-[3-(2-Ethoxyethylamino)propyl]pyrrole-2,5-dione
CID 57573729
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylbutoxy)propyl]propanamide
CID 57643402
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(methylamino)-2-oxoethoxy]ethyl]propanamide
CID 57648845
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxobutoxy)ethyl]propanamide
CID 57747448
3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
CID 58332974

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide (CID 170538626) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide is CC(C)CCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide?
The InChIKey is BJSWFGKIVUUUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-11(2)6-9-20-10-7-15-12(17)5-8-16-13(18)3-4-14(16)19/h3-4,11H,5-10H2,1-2H3,(H,15,17).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methylbutoxy)ethyl]propanamide is sourced from PubChem (CID 170538626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).