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'}

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Related Compounds

N-[5-(1,5-dimethylimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25181471
N-[2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 67374618
Smo-IN-1
CID 70684298
N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
N-(3-imidazol-1-ylpropyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3807441
4-(hexyloxy)-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 4199636
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 5301742
N-[(Z)-2-Furan-2-yl-1-(3-imidazol-1-yl-propylcarbamoyl)-vinyl]-4-methoxy-benzamide
CID 12005525
6-(4-methoxybenzylamino)-N-(2-aminophenyl)nicotinamide
CID 9968179
1-[1-(3H-Imidazol-4-ylmethyl)-7-phenyl-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-2-(4-methoxy-phenyl)-ethane-1,2-dione
CID 10837934

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).