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

C20H24N2O2 — CID 108945437

IUPACN'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)NCc1ccccc1C
InChIInChI=1S/C20H24N2O2/c1-4-16-11-7-9-15(3)20(16)22-19(24)12-18(23)21-13-17-10-6-5-8-14(17)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXNYWIXAOZRWILR-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.51
Rot. Bonds6

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

N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide (PubChem CID 108945437) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
PubChem CID108945437
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)NCc1ccccc1C
InChIInChI=1S/C20H24N2O2/c1-4-16-11-7-9-15(3)20(16)22-19(24)12-18(23)21-13-17-10-6-5-8-14(17)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXNYWIXAOZRWILR-UHFFFAOYSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]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-fluorophenyl)methyl]propanediamide
CID 108946276
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
CID 108941644
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
3-(2-ethyl-6-methylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019154
N'-(2-ethyl-6-methylphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947663
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945423
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide
CID 108948559
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945478
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide (CID 108945437) is N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide is CCc1cccc(C)c1NC(=O)CC(=O)NCc1ccccc1C.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The InChIKey is XNYWIXAOZRWILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-16-11-7-9-15(3)20(16)22-19(24)12-18(23)21-13-17-10-6-5-8-14(17)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide has a molecular weight of 324.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).