N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide

C21H22N4O3 — CID 2883729

IUPACN-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C21H22N4O3/c1-28-17-9-7-16(8-10-17)20(26)24-19-6-3-2-5-18(19)21(27)23-11-4-13-25-14-12-22-15-25/h2-3,5-10,12,14-15H,4,11,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyRAVKTZMJCZOEMO-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.96
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide

N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 2883729) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID2883729
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C21H22N4O3/c1-28-17-9-7-16(8-10-17)20(26)24-19-6-3-2-5-18(19)21(27)23-11-4-13-25-14-12-22-15-25/h2-3,5-10,12,14-15H,4,11,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyRAVKTZMJCZOEMO-UHFFFAOYSA-N
XLogP2.96
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]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-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide (CID 2883729) is N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is RAVKTZMJCZOEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-17-9-7-16(8-10-17)20(26)24-19-6-3-2-5-18(19)21(27)23-11-4-13-25-14-12-22-15-25/h2-3,5-10,12,14-15H,4,11,13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide?
N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 2883729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).