N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide

C26H28N2O3 — CID 75533695

IUPACN-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide
SMILESCc1ccccc1C1CC(N(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C2CC2)C1
InChIInChI=1S/C26H28N2O3/c1-17-4-2-3-5-23(17)20-14-22(15-20)28(21-10-11-21)26(31)19-8-6-18(7-9-19)16-27-24(29)12-13-25(27)30/h2-9,20-22H,10-16H2,1H3
InChIKeySTBCHLHODPMUIQ-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.19
Rot. Bonds6

About N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide

N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide (PubChem CID 75533695) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide
PubChem CID75533695
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide
SMILESCc1ccccc1C1CC(N(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C2CC2)C1
InChIInChI=1S/C26H28N2O3/c1-17-4-2-3-5-23(17)20-14-22(15-20)28(21-10-11-21)26(31)19-8-6-18(7-9-19)16-27-24(29)12-13-25(27)30/h2-9,20-22H,10-16H2,1H3
InChIKeySTBCHLHODPMUIQ-UHFFFAOYSA-N
XLogP4.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide 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-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide (CID 75533695) is N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide is Cc1ccccc1C1CC(N(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C2CC2)C1.
What is the InChIKey of N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide?
The InChIKey is STBCHLHODPMUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-17-4-2-3-5-23(17)20-14-22(15-20)28(21-10-11-21)26(31)19-8-6-18(7-9-19)16-27-24(29)12-13-25(27)30/h2-9,20-22H,10-16H2,1H3.
What are the key properties of N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide?
N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide is sourced from PubChem (CID 75533695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).