N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide

C21H26N2O2 — CID 108953932

IUPACN'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C21H26N2O2/c1-4-15-10-7-8-13-18(15)22-19(24)14-20(25)23-21-16(5-2)11-9-12-17(21)6-3/h7-13H,4-6,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYAVBWUOHHBBXHM-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.34
Rot. Bonds7

About N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide

N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide (PubChem CID 108953932) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
PubChem CID108953932
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C21H26N2O2/c1-4-15-10-7-8-13-18(15)22-19(24)14-20(25)23-21-16(5-2)11-9-12-17(21)6-3/h7-13H,4-6,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYAVBWUOHHBBXHM-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.34
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,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N'-(2-ethylphenyl)-N-propylpropanediamide
CID 108940680
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide
CID 108954543
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N-(4-acetylphenyl)-N'-(2-ethylphenyl)propanediamide
CID 108953959
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide?
The IUPAC name of N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide (CID 108953932) is N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide?
The canonical SMILES for N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide is CCc1ccccc1NC(=O)CC(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide?
The InChIKey is YAVBWUOHHBBXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-15-10-7-8-13-18(15)22-19(24)14-20(25)23-21-16(5-2)11-9-12-17(21)6-3/h7-13H,4-6,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide?
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide has a molecular weight of 338.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide is sourced from PubChem (CID 108953932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).