N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide

C21H22N4O3 — CID 43055653

IUPACN-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)Cn3ccnc3C)cc2)cc1
InChIInChI=1S/C21H22N4O3/c1-3-28-19-10-8-18(9-11-19)24-21(27)16-4-6-17(7-5-16)23-20(26)14-25-13-12-22-15(25)2/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyIMCHGEAJYSHXKW-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.48
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide

N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide (PubChem CID 43055653) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
PubChem CID43055653
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)Cn3ccnc3C)cc2)cc1
InChIInChI=1S/C21H22N4O3/c1-3-28-19-10-8-18(9-11-19)24-21(27)16-4-6-17(7-5-16)23-20(26)14-25-13-12-22-15(25)2/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyIMCHGEAJYSHXKW-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]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

Related Compounds

N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 42942992
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
CID 35590532
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8930959
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 56542530
N-(4-ethoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9043122
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide (CID 43055653) is N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)Cn3ccnc3C)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide?
The InChIKey is IMCHGEAJYSHXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-28-19-10-8-18(9-11-19)24-21(27)16-4-6-17(7-5-16)23-20(26)14-25-13-12-22-15(25)2/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide?
N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 43055653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).