3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide

C15H24N2O — CID 115187718

IUPAC3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide
SMILESCNCC(C(=O)NCc1ccccc1C)C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)14(10-16-4)15(18)17-9-13-8-6-5-7-12(13)3/h5-8,11,14,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyAFYJGMKFFASAPQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.10
Rot. Bonds6

About 3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide

3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 115187718) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide
PubChem CID115187718
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide
SMILESCNCC(C(=O)NCc1ccccc1C)C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)14(10-16-4)15(18)17-9-13-8-6-5-7-12(13)3/h5-8,11,14,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyAFYJGMKFFASAPQ-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 17395399
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187709
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 18114734
3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of 3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide (CID 115187718) is 3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for 3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide is CNCC(C(=O)NCc1ccccc1C)C(C)C.
What is the InChIKey of 3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is AFYJGMKFFASAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)14(10-16-4)15(18)17-9-13-8-6-5-7-12(13)3/h5-8,11,14,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide?
3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 115187718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).