N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide

C12H20N2O3 — CID 57086288

IUPACN-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide
SMILESCCC1(C)CC(=O)N(CCCCNC=O)C1=O
InChIInChI=1S/C12H20N2O3/c1-3-12(2)8-10(16)14(11(12)17)7-5-4-6-13-9-15/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyYGUMAOSNIMOTOX-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.69
Rot. Bonds7

About N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide

N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide (PubChem CID 57086288) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide
PubChem CID57086288
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide
SMILESCCC1(C)CC(=O)N(CCCCNC=O)C1=O
InChIInChI=1S/C12H20N2O3/c1-3-12(2)8-10(16)14(11(12)17)7-5-4-6-13-9-15/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyYGUMAOSNIMOTOX-UHFFFAOYSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide?
The IUPAC name of N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide (CID 57086288) is N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide.
What is the SMILES notation for N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide?
The canonical SMILES for N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide is CCC1(C)CC(=O)N(CCCCNC=O)C1=O.
What is the InChIKey of N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide?
The InChIKey is YGUMAOSNIMOTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-12(2)8-10(16)14(11(12)17)7-5-4-6-13-9-15/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide?
N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide has a molecular weight of 240.30 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide is sourced from PubChem (CID 57086288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).