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

C18H30N2O6 — CID 129196034

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)CCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O6/c1-15(2)6-9-24-11-13-26-14-12-25-10-7-19-16(21)5-8-20-17(22)3-4-18(20)23/h3-4,15H,5-14H2,1-2H3,(H,19,21)
InChIKeyROEQUIPOVRABFT-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.51
Rot. Bonds15

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 129196034) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide
PubChem CID129196034
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)CCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O6/c1-15(2)6-9-24-11-13-26-14-12-25-10-7-19-16(21)5-8-20-17(22)3-4-18(20)23/h3-4,15H,5-14H2,1-2H3,(H,19,21)
InChIKeyROEQUIPOVRABFT-UHFFFAOYSA-N
XLogP0.51
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.51
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

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,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
Propanoic acid, 3-[2-[2-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]ethoxy]-, 1,1-dimethylethyl ester
CID 134839772
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
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide (CID 129196034) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide is CC(C)CCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is ROEQUIPOVRABFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O6/c1-15(2)6-9-24-11-13-26-14-12-25-10-7-19-16(21)5-8-20-17(22)3-4-18(20)23/h3-4,15H,5-14H2,1-2H3,(H,19,21).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 0.51, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 129196034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).