3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide

C21H21N3O3 — CID 70749578

IUPAC3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCn1ccnc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C21H21N3O3/c1-2-15-5-3-4-6-17(15)23-20(25)9-11-24-12-10-22-21(24)16-7-8-18-19(13-16)27-14-26-18/h3-8,10,12-13H,2,9,11,14H2,1H3,(H,23,25)
InChIKeyRXTNNSLOMGEPKA-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.87
Rot. Bonds6

About 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide

3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide (PubChem CID 70749578) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide
PubChem CID70749578
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCn1ccnc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C21H21N3O3/c1-2-15-5-3-4-6-17(15)23-20(25)9-11-24-12-10-22-21(24)16-7-8-18-19(13-16)27-14-26-18/h3-8,10,12-13H,2,9,11,14H2,1H3,(H,23,25)
InChIKeyRXTNNSLOMGEPKA-UHFFFAOYSA-N
XLogP3.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide 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

5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
CID 15988831
2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 6500810
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131937873
N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 56748652
N-(1,3-benzodioxol-5-yl)-4-methyl-3-[3-(2-methylimidazol-1-yl)propanoylamino]benzamide;formic acid
CID 172897322
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide
CID 108947205
3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55370076
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 23612570
N-(1,3-benzodioxol-5-yl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9436533
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 21366898
2-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-3-phenylpropanoic acid
CID 56870852

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide (CID 70749578) is 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCn1ccnc1-c1ccc2c(c1)OCO2.
What is the InChIKey of 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide?
The InChIKey is RXTNNSLOMGEPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-15-5-3-4-6-17(15)23-20(25)9-11-24-12-10-22-21(24)16-7-8-18-19(13-16)27-14-26-18/h3-8,10,12-13H,2,9,11,14H2,1H3,(H,23,25).
What are the key properties of 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide?
3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide has a molecular weight of 363.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 70749578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).