N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide

C20H24N2O2 — CID 108947975

IUPACN'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-17-11-7-8-15(2)20(17)22-19(24)14-18(23)21-13-12-16-9-5-4-6-10-16/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRSWYQRXCMYEBGN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.24
Rot. Bonds7

About N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide

N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide (PubChem CID 108947975) 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-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
PubChem CID108947975
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-17-11-7-8-15(2)20(17)22-19(24)14-18(23)21-13-12-16-9-5-4-6-10-16/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRSWYQRXCMYEBGN-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
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
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437
1-(2-ethyl-6-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8559751
6-N-(2-ethyl-6-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098447
2-(2,6-diethylanilino)-N-(2-phenylethyl)acetamide
CID 108999995
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
CID 108941644
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 27244251
N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948687
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide (CID 108947975) is N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide is CCc1cccc(C)c1NC(=O)CC(=O)NCCc1ccccc1.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide?
The InChIKey is RSWYQRXCMYEBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-17-11-7-8-15(2)20(17)22-19(24)14-18(23)21-13-12-16-9-5-4-6-10-16/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide?
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide has a molecular weight of 324.42 g/mol, XLogP of 3.24, 7 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-phenylethyl)propanediamide is sourced from PubChem (CID 108947975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).