N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide

C15H24N2O — CID 115188860

IUPACN-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)NCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-5-13(9-16-4)15(18)17-10-14-7-6-11(2)8-12(14)3/h6-8,13,16H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyAROIJKXYBGIVQZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.17
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide

N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide (PubChem CID 115188860) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
PubChem CID115188860
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)NCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-5-13(9-16-4)15(18)17-10-14-7-6-11(2)8-12(14)3/h6-8,13,16H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyAROIJKXYBGIVQZ-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188857
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
3-[(2,4-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 115164254
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 75871769
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119808697
methyl 2-[(2,4-dimethylphenyl)methyl]butanoate
CID 116931270
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775
N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188789

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide (CID 115188860) is N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide is CCC(CNC)C(=O)NCc1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide?
The InChIKey is AROIJKXYBGIVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-13(9-16-4)15(18)17-10-14-7-6-11(2)8-12(14)3/h6-8,13,16H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide?
N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115188860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).