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

C13H22N2O4 — CID 59331203

IUPACN-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCOCCCCNC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C13H22N2O4/c1-10-9-12(17)15(13(10)18)7-5-11(16)14-6-3-4-8-19-2/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyUYAOUTLXBDOVGC-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.31
Rot. Bonds8

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

N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 59331203) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID59331203
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC NameN-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCOCCCCNC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C13H22N2O4/c1-10-9-12(17)15(13(10)18)7-5-11(16)14-6-3-4-8-19-2/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyUYAOUTLXBDOVGC-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 59331203) is N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is COCCCCNC(=O)CCN1C(=O)CC(C)C1=O.
What is the InChIKey of N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is UYAOUTLXBDOVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10-9-12(17)15(13(10)18)7-5-11(16)14-6-3-4-8-19-2/h10H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 59331203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).