2-(3,5-dimethylanilino)-N-ethylpropanamide

C13H20N2O — CID 43086091

IUPAC2-(3,5-dimethylanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(C)cc(C)c1
InChIInChI=1S/C13H20N2O/c1-5-14-13(16)11(4)15-12-7-9(2)6-10(3)8-12/h6-8,11,15H,5H2,1-4H3,(H,14,16)
InChIKeyLRHZLZGVSWQTRY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.24
Rot. Bonds4

About 2-(3,5-dimethylanilino)-N-ethylpropanamide

2-(3,5-dimethylanilino)-N-ethylpropanamide (PubChem CID 43086091) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-ethylpropanamide
PubChem CID43086091
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3,5-dimethylanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(C)cc(C)c1
InChIInChI=1S/C13H20N2O/c1-5-14-13(16)11(4)15-12-7-9(2)6-10(3)8-12/h6-8,11,15H,5H2,1-4H3,(H,14,16)
InChIKeyLRHZLZGVSWQTRY-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
2-(3-fluoro-5-methylanilino)-N-propylpropanamide
CID 79055254
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide
CID 81301009
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 104937932
2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide
CID 102815690
2-(3,5-dimethylanilino)-N,N-diethylpropanamide
CID 43113083
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
2-(3-amino-5-propoxyanilino)-N-ethylpropanamide
CID 80738482

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-ethylpropanamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-ethylpropanamide (CID 43086091) is 2-(3,5-dimethylanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-ethylpropanamide?
The InChIKey is LRHZLZGVSWQTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-14-13(16)11(4)15-12-7-9(2)6-10(3)8-12/h6-8,11,15H,5H2,1-4H3,(H,14,16).
What are the key properties of 2-(3,5-dimethylanilino)-N-ethylpropanamide?
2-(3,5-dimethylanilino)-N-ethylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-ethylpropanamide is sourced from PubChem (CID 43086091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).