2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C20H25N3O3 — CID 3238127

IUPAC2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cn1cccc1C(=O)c1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C20H25N3O3/c24-19(21-9-5-10-22-12-14-26-15-13-22)16-23-11-4-8-18(23)20(25)17-6-2-1-3-7-17/h1-4,6-8,11H,5,9-10,12-16H2,(H,21,24)
InChIKeyVQCUMTWUABPLCK-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.56
Rot. Bonds8

About 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 3238127) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID3238127
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cn1cccc1C(=O)c1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C20H25N3O3/c24-19(21-9-5-10-22-12-14-26-15-13-22)16-23-11-4-8-18(23)20(25)17-6-2-1-3-7-17/h1-4,6-8,11H,5,9-10,12-16H2,(H,21,24)
InChIKeyVQCUMTWUABPLCK-UHFFFAOYSA-N
XLogP1.56
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide 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 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 3238127) is 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cn1cccc1C(=O)c1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is VQCUMTWUABPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-19(21-9-5-10-22-12-14-26-15-13-22)16-23-11-4-8-18(23)20(25)17-6-2-1-3-7-17/h1-4,6-8,11H,5,9-10,12-16H2,(H,21,24).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 3238127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).