N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide

C21H26N2O3 — CID 108948559

IUPACN'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)NCCc1ccccc1OC
InChIInChI=1S/C21H26N2O3/c1-4-16-10-7-8-15(2)21(16)23-20(25)14-19(24)22-13-12-17-9-5-6-11-18(17)26-3/h5-11H,4,12-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFHOWRBXBYBUXCO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.25
Rot. Bonds8

About N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide

N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide (PubChem CID 108948559) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide
PubChem CID108948559
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)NCCc1ccccc1OC
InChIInChI=1S/C21H26N2O3/c1-4-16-10-7-8-15(2)21(16)23-20(25)14-19(24)22-13-12-17-9-5-6-11-18(17)26-3/h5-11H,4,12-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFHOWRBXBYBUXCO-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide 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'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291
N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide
CID 108948602
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
N-(2-ethyl-6-methylphenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236678
3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022011

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide (CID 108948559) is N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide is CCc1cccc(C)c1NC(=O)CC(=O)NCCc1ccccc1OC.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide?
The InChIKey is FHOWRBXBYBUXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-16-10-7-8-15(2)21(16)23-20(25)14-19(24)22-13-12-17-9-5-6-11-18(17)26-3/h5-11H,4,12-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide?
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide has a molecular weight of 354.45 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 108948559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).