2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide

C14H22N2O — CID 60673321

IUPAC2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)c1cc(C)ccc1C
InChIInChI=1S/C14H22N2O/c1-9-6-7-10(2)13(8-9)11(3)16-12(4)14(17)15-5/h6-8,11-12,16H,1-5H3,(H,15,17)
InChIKeyJZCXKPRPHKXEFZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.09
Rot. Bonds4

About 2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide

2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide (PubChem CID 60673321) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide
PubChem CID60673321
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)c1cc(C)ccc1C
InChIInChI=1S/C14H22N2O/c1-9-6-7-10(2)13(8-9)11(3)16-12(4)14(17)15-5/h6-8,11-12,16H,1-5H3,(H,15,17)
InChIKeyJZCXKPRPHKXEFZ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide
CID 43684840
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
CID 43574263
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide
CID 81383906
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
N-(2,4-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]propanamide
CID 51244084
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]prop-2-enamide
CID 167955086
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide
CID 81327934
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
4-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43742646
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 54950564
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 132651271

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide (CID 60673321) is 2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide is CNC(=O)C(C)NC(C)c1cc(C)ccc1C.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide?
The InChIKey is JZCXKPRPHKXEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-6-7-10(2)13(8-9)11(3)16-12(4)14(17)15-5/h6-8,11-12,16H,1-5H3,(H,15,17).
What are the key properties of 2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide?
2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 60673321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).