4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide

C19H23N3O3 — CID 3729046

IUPAC4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccccc1)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C19H23N3O3/c23-18(15-5-2-1-3-6-15)16-13-17(21-14-16)19(24)20-7-4-8-22-9-11-25-12-10-22/h1-3,5-6,13-14,21H,4,7-12H2,(H,20,24)
InChIKeyBVCHEKYEGYPPHN-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.70
Rot. Bonds7

About 4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide

4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 3729046) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID3729046
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccccc1)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C19H23N3O3/c23-18(15-5-2-1-3-6-15)16-13-17(21-14-16)19(24)20-7-4-8-22-9-11-25-12-10-22/h1-3,5-6,13-14,21H,4,7-12H2,(H,20,24)
InChIKeyBVCHEKYEGYPPHN-UHFFFAOYSA-N
XLogP1.70
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide 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-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide (CID 3729046) is 4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide is O=C(c1ccccc1)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is BVCHEKYEGYPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(15-5-2-1-3-6-15)16-13-17(21-14-16)19(24)20-7-4-8-22-9-11-25-12-10-22/h1-3,5-6,13-14,21H,4,7-12H2,(H,20,24).
What are the key properties of 4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3729046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).