3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide

C16H26N2O — CID 115187639

IUPAC3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide
SMILESCNCC(C(=O)Nc1cc(C)c(C)cc1C)C(C)C
InChIInChI=1S/C16H26N2O/c1-10(2)14(9-17-6)16(19)18-15-8-12(4)11(3)7-13(15)5/h7-8,10,14,17H,9H2,1-6H3,(H,18,19)
InChIKeyAYHPFPLFQNSGPV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.04
Rot. Bonds5

About 3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide

3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide (PubChem CID 115187639) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide
PubChem CID115187639
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide
SMILESCNCC(C(=O)Nc1cc(C)c(C)cc1C)C(C)C
InChIInChI=1S/C16H26N2O/c1-10(2)14(9-17-6)16(19)18-15-8-12(4)11(3)7-13(15)5/h7-8,10,14,17H,9H2,1-6H3,(H,18,19)
InChIKeyAYHPFPLFQNSGPV-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(2,4,5-trimethylphenyl)propanamide
CID 115140395
2-methyl-3-oxo-3-(2,4,5-trimethylanilino)propanoic acid
CID 115164126
3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide
CID 115187718
N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79202126
N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide
CID 21044969
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide
CID 115187638
2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115187485
2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115187173
4-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195606
1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3463712
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119895285

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide?
The IUPAC name of 3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide (CID 115187639) is 3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide.
What is the SMILES notation for 3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide?
The canonical SMILES for 3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide is CNCC(C(=O)Nc1cc(C)c(C)cc1C)C(C)C.
What is the InChIKey of 3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide?
The InChIKey is AYHPFPLFQNSGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10(2)14(9-17-6)16(19)18-15-8-12(4)11(3)7-13(15)5/h7-8,10,14,17H,9H2,1-6H3,(H,18,19).
What are the key properties of 3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide?
3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide has a molecular weight of 262.40 g/mol, XLogP of 3.04, 5 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-(2,4,5-trimethylphenyl)butanamide is sourced from PubChem (CID 115187639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).