N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide

C15H24N2O — CID 115188789

IUPACN-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)N(C)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2O/c1-6-13(10-16-4)15(18)17(5)14-9-11(2)7-8-12(14)3/h7-9,13,16H,6,10H2,1-5H3
InChIKeyLRTJGUANHQARKF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.51
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide

N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide (PubChem CID 115188789) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
PubChem CID115188789
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)N(C)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2O/c1-6-13(10-16-4)15(18)17(5)14-9-11(2)7-8-12(14)3/h7-9,13,16H,6,10H2,1-5H3
InChIKeyLRTJGUANHQARKF-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide (CID 115188789) is N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide is CCC(CNC)C(=O)N(C)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
The InChIKey is LRTJGUANHQARKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-13(10-16-4)15(18)17(5)14-9-11(2)7-8-12(14)3/h7-9,13,16H,6,10H2,1-5H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide?
N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115188789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).