N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide

C21H22N4O3 — CID 24688110

IUPACN-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H22N4O3/c1-15(16-7-9-17(10-8-16)25-12-11-22-14-25)24-20(26)13-23-21(27)18-5-3-4-6-19(18)28-2/h3-12,14-15H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyCPPINFAXTJOCRY-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.49
Rot. Bonds7

About N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide

N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 24688110) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide
PubChem CID24688110
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H22N4O3/c1-15(16-7-9-17(10-8-16)25-12-11-22-14-25)24-20(26)13-23-21(27)18-5-3-4-6-19(18)28-2/h3-12,14-15H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyCPPINFAXTJOCRY-UHFFFAOYSA-N
XLogP2.49
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
2-ethoxy-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2931168
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 5301742
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
1-[(2-methoxyphenyl)methyl]-N-[(1R)-1-phenylpropyl]-1H-1,3-benzodiazole-5-carboxamide
CID 44132012
(R)-1-(1-(2-(4-methoxyphenyl)acetyl)pyrrolidin-3-yl)-N-phenethyl-1H-imidazole-5-carboxamide (1)
CID 134612038
2-Methoxy-N-(4-methyl-6-propionylamino-pyridin-3-yl)-benzamide
CID 644882
2-Methoxy-N-(6-pentanoylamino-pyridin-3-yl)-benzamide
CID 655705
2-methoxy-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 751281
N-[3-(1H-Imidazol-1-yl)propyl]-2-(4-methoxybenzamido)benzamide
CID 2883729
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 4787876
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 4789127

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide (CID 24688110) is N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(=O)NC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is CPPINFAXTJOCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15(16-7-9-17(10-8-16)25-12-11-22-14-25)24-20(26)13-23-21(27)18-5-3-4-6-19(18)28-2/h3-12,14-15H,13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide?
N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 24688110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).