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

C13H22N2O4 — CID 158981138

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane
SMILESC.COCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O4.CH4/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);1H4
InChIKeyJPACCSSIMBGOIP-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.48
Rot. Bonds8

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

3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane (PubChem CID 158981138) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane
PubChem CID158981138
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane
SMILESC.COCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O4.CH4/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);1H4
InChIKeyJPACCSSIMBGOIP-UHFFFAOYSA-N
XLogP0.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
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-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide;methane
CID 172871711
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propyl]propanamide
CID 170280660
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102
3-(2,5-dioxopyrrol-1-yl)-N-[3-(trihydroxy-λ4-sulfanyl)propyl]propanamide
CID 163893072
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-(methylamino)-6-oxoheptyl]propanamide
CID 58587501
3-(2,5-dioxopyrrol-1-yl)-N-[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]propanamide
CID 123808310
N-[3-[3-[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]-2-[2-[2-(2-hydroxyethoxy)-3-(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 169032223
N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59331203

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane (CID 158981138) is 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane is C.COCCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane?
The InChIKey is JPACCSSIMBGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4.CH4/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);1H4.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane?
3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane has a molecular weight of 270.33 g/mol, XLogP of 0.48, 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;methane is sourced from PubChem (CID 158981138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).