3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide

C12H18N2O4 — CID 90394454

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide
SMILESCOCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O4/c1-18-9-3-2-7-13-10(15)6-8-14-11(16)4-5-12(14)17/h4-5H,2-3,6-9H2,1H3,(H,13,15)
InChIKeyFWLLYQJSIAQLHI-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.16
Rot. Bonds8

About 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide

3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide (PubChem CID 90394454) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide
PubChem CID90394454
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide
SMILESCOCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O4/c1-18-9-3-2-7-13-10(15)6-8-14-11(16)4-5-12(14)17/h4-5H,2-3,6-9H2,1H3,(H,13,15)
InChIKeyFWLLYQJSIAQLHI-UHFFFAOYSA-N
XLogP-0.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.16
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
3-(2,5-dioxopyrrol-1-yl)-N-[4-(fluoromethoxy)-4-methylpentyl]propanamide
CID 169665924
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 21299486
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 21299489
3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide
CID 22961655
3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide
CID 22964484
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
3-(2,5-dioxopyrrol-1-yl)-N-[2-(ethoxyamino)ethyl]propanamide
CID 23526539
3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-propylpropanamide
CID 54593838
3-(2,5-dioxopyrrol-1-yl)-N-(2-methylbutyl)propanamide
CID 57643378
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-(4-methoxybutyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide (CID 90394454) is 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide is COCCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide?
The InChIKey is FWLLYQJSIAQLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-18-9-3-2-7-13-10(15)6-8-14-11(16)4-5-12(14)17/h4-5H,2-3,6-9H2,1H3,(H,13,15).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide has a molecular weight of 254.29 g/mol, XLogP of -0.16, 8 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-(4-methoxybutyl)propanamide is sourced from PubChem (CID 90394454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).