2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide

C21H28N2O — CID 13252290

IUPAC2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C21H28N2O/c1-5-16-11-13-19(14-12-16)23-21(24)15(4)22-20-17(6-2)9-8-10-18(20)7-3/h8-15,22H,5-7H2,1-4H3,(H,23,24)
InChIKeyIXPXQIXVJOXIDW-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.81
Rot. Bonds7

About 2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide

2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide (PubChem CID 13252290) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
PubChem CID13252290
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C21H28N2O/c1-5-16-11-13-19(14-12-16)23-21(24)15(4)22-20-17(6-2)9-8-10-18(20)7-3/h8-15,22H,5-7H2,1-4H3,(H,23,24)
InChIKeyIXPXQIXVJOXIDW-UHFFFAOYSA-N
XLogP4.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide
CID 4640614
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide
CID 7509615
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide
CID 2437234
N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511588
2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide
CID 107599095
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide (CID 13252290) is 2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)C(C)Nc2c(CC)cccc2CC)cc1.
What is the InChIKey of 2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide?
The InChIKey is IXPXQIXVJOXIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-5-16-11-13-19(14-12-16)23-21(24)15(4)22-20-17(6-2)9-8-10-18(20)7-3/h8-15,22H,5-7H2,1-4H3,(H,23,24).
What are the key properties of 2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide?
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 13252290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).