4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide

C15H24N2O3 — CID 58371221

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide
SMILESCC(C)CCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H24N2O3/c1-12(2)6-3-4-10-16-13(18)7-5-11-17-14(19)8-9-15(17)20/h8-9,12H,3-7,10-11H2,1-2H3,(H,16,18)
InChIKeyXKEBAQVVBLZRAT-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.63
Rot. Bonds9

About 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide

4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide (PubChem CID 58371221) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide
PubChem CID58371221
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide
SMILESCC(C)CCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H24N2O3/c1-12(2)6-3-4-10-16-13(18)7-5-11-17-14(19)8-9-15(17)20/h8-9,12H,3-7,10-11H2,1-2H3,(H,16,18)
InChIKeyXKEBAQVVBLZRAT-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide 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 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide (CID 58371221) is 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide is CC(C)CCCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide?
The InChIKey is XKEBAQVVBLZRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(2)6-3-4-10-16-13(18)7-5-11-17-14(19)8-9-15(17)20/h8-9,12H,3-7,10-11H2,1-2H3,(H,16,18).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide?
4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide is sourced from PubChem (CID 58371221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).