2-(2,6-diethyl-4-methylphenyl)propanediamide

C14H20N2O2 — CID 12056811

IUPAC2-(2,6-diethyl-4-methylphenyl)propanediamide
SMILESCCc1cc(C)cc(CC)c1C(C(N)=O)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-4-9-6-8(3)7-10(5-2)11(9)12(13(15)17)14(16)18/h6-7,12H,4-5H2,1-3H3,(H2,15,17)(H2,16,18)
InChIKeyMBCOLUIVZSFWBX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.17
Rot. Bonds5

About 2-(2,6-diethyl-4-methylphenyl)propanediamide

2-(2,6-diethyl-4-methylphenyl)propanediamide (PubChem CID 12056811) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,6-diethyl-4-methylphenyl)propanediamide.

Molecular Properties

Compound Name2-(2,6-diethyl-4-methylphenyl)propanediamide
PubChem CID12056811
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2,6-diethyl-4-methylphenyl)propanediamide
SMILESCCc1cc(C)cc(CC)c1C(C(N)=O)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-4-9-6-8(3)7-10(5-2)11(9)12(13(15)17)14(16)18/h6-7,12H,4-5H2,1-3H3,(H2,15,17)(H2,16,18)
InChIKeyMBCOLUIVZSFWBX-UHFFFAOYSA-N
XLogP1.17
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethyl-4-methylphenyl)propanediamide?
The IUPAC name of 2-(2,6-diethyl-4-methylphenyl)propanediamide (CID 12056811) is 2-(2,6-diethyl-4-methylphenyl)propanediamide.
What is the SMILES notation for 2-(2,6-diethyl-4-methylphenyl)propanediamide?
The canonical SMILES for 2-(2,6-diethyl-4-methylphenyl)propanediamide is CCc1cc(C)cc(CC)c1C(C(N)=O)C(N)=O.
What is the InChIKey of 2-(2,6-diethyl-4-methylphenyl)propanediamide?
The InChIKey is MBCOLUIVZSFWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-9-6-8(3)7-10(5-2)11(9)12(13(15)17)14(16)18/h6-7,12H,4-5H2,1-3H3,(H2,15,17)(H2,16,18).
What are the key properties of 2-(2,6-diethyl-4-methylphenyl)propanediamide?
2-(2,6-diethyl-4-methylphenyl)propanediamide has a molecular weight of 248.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-4-methylphenyl)propanediamide is sourced from PubChem (CID 12056811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).