N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide

C12H20N2O3 — CID 176989895

IUPACN-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide
SMILESCCC(=O)NCCC(C)N1C(=O)CC(C)C1=O
InChIInChI=1S/C12H20N2O3/c1-4-10(15)13-6-5-9(3)14-11(16)7-8(2)12(14)17/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyDFWJMOIUPFYAQB-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.69
Rot. Bonds5

About N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide

N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide (PubChem CID 176989895) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide.

Molecular Properties

Compound NameN-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide
PubChem CID176989895
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide
SMILESCCC(=O)NCCC(C)N1C(=O)CC(C)C1=O
InChIInChI=1S/C12H20N2O3/c1-4-10(15)13-6-5-9(3)14-11(16)7-8(2)12(14)17/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyDFWJMOIUPFYAQB-UHFFFAOYSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide?
The IUPAC name of N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide (CID 176989895) is N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide.
What is the SMILES notation for N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide?
The canonical SMILES for N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide is CCC(=O)NCCC(C)N1C(=O)CC(C)C1=O.
What is the InChIKey of N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide?
The InChIKey is DFWJMOIUPFYAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-10(15)13-6-5-9(3)14-11(16)7-8(2)12(14)17/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide?
N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide has a molecular weight of 240.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide is sourced from PubChem (CID 176989895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).