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

C14H22N2O — CID 43087041

IUPAC2-(3,5-dimethylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-6-15-14(17)12(4)16-13-8-10(2)7-11(3)9-13/h7-9,12,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyBYFFLOFZIHBAFR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds5

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

2-(3,5-dimethylanilino)-N-propylpropanamide (PubChem CID 43087041) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-propylpropanamide
PubChem CID43087041
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,5-dimethylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-6-15-14(17)12(4)16-13-8-10(2)7-11(3)9-13/h7-9,12,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyBYFFLOFZIHBAFR-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
2-(3-fluoro-5-methylanilino)-N-propylpropanamide
CID 79055254
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 104937932
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-(3-methyl-4-nitroanilino)-N-propylpropanamide
CID 60969921
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-propylpropanamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-propylpropanamide (CID 43087041) is 2-(3,5-dimethylanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-propylpropanamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-propylpropanamide?
The InChIKey is BYFFLOFZIHBAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-6-15-14(17)12(4)16-13-8-10(2)7-11(3)9-13/h7-9,12,16H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 2-(3,5-dimethylanilino)-N-propylpropanamide?
2-(3,5-dimethylanilino)-N-propylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.63, 5 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-propylpropanamide is sourced from PubChem (CID 43087041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).