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

C16H24N2O2 — CID 108941644

IUPACN'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)NCC(C)C
InChIInChI=1S/C16H24N2O2/c1-5-13-8-6-7-12(4)16(13)18-15(20)9-14(19)17-10-11(2)3/h6-8,11H,5,9-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJQLHZLVQXICJKR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds6

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

N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide (PubChem CID 108941644) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
PubChem CID108941644
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)NCC(C)C
InChIInChI=1S/C16H24N2O2/c1-5-13-8-6-7-12(4)16(13)18-15(20)9-14(19)17-10-11(2)3/h6-8,11H,5,9-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJQLHZLVQXICJKR-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.66
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-methylphenyl)methyl]propanediamide
CID 108945437
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
ethyl 4-[[3-(2-ethyl-6-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954236
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide
CID 108948559
N'-(2-ethyl-6-methylphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947663
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide (CID 108941644) is N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide is CCc1cccc(C)c1NC(=O)CC(=O)NCC(C)C.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide?
The InChIKey is JQLHZLVQXICJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-13-8-6-7-12(4)16(13)18-15(20)9-14(19)17-10-11(2)3/h6-8,11H,5,9-10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide?
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide has a molecular weight of 276.38 g/mol, XLogP of 2.66, 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-methylpropyl)propanediamide is sourced from PubChem (CID 108941644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).