2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide

C14H22N2O — CID 43084818

IUPAC2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
SMILESCc1cc(C)cc(NC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-9(2)15-14(17)12(5)16-13-7-10(3)6-11(4)8-13/h6-9,12,16H,1-5H3,(H,15,17)
InChIKeyKKUQDWHTHMSVGM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds4

About 2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide

2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide (PubChem CID 43084818) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
PubChem CID43084818
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
SMILESCc1cc(C)cc(NC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-9(2)15-14(17)12(5)16-13-7-10(3)6-11(4)8-13/h6-9,12,16H,1-5H3,(H,15,17)
InChIKeyKKUQDWHTHMSVGM-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide
CID 104937935
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
CID 112811052
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide
CID 107365072
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179
N-propan-2-yl-2-(4-propan-2-ylanilino)propanamide
CID 43084814
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
2-(3-acetamidoanilino)-N-propan-2-ylpropanamide
CID 43084802

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide (CID 43084818) is 2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide is Cc1cc(C)cc(NC(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide?
The InChIKey is KKUQDWHTHMSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)15-14(17)12(5)16-13-7-10(3)6-11(4)8-13/h6-9,12,16H,1-5H3,(H,15,17).
What are the key properties of 2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide?
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.63, 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-propan-2-ylpropanamide is sourced from PubChem (CID 43084818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).