2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide

C16H26N2O — CID 115188725

IUPAC2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide
SMILESCCC(CNC)C(=O)Nc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H26N2O/c1-7-14(9-17-6)16(19)18-15-12(4)10(2)8-11(3)13(15)5/h8,14,17H,7,9H2,1-6H3,(H,18,19)
InChIKeyLIRRRUYSJCAALB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.10
Rot. Bonds5

About 2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide

2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide (PubChem CID 115188725) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide
PubChem CID115188725
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide
SMILESCCC(CNC)C(=O)Nc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H26N2O/c1-7-14(9-17-6)16(19)18-15-12(4)10(2)8-11(3)13(15)5/h8,14,17H,7,9H2,1-6H3,(H,18,19)
InChIKeyLIRRRUYSJCAALB-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid
CID 115249694
2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide
CID 115188778
2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115188767
2-hydroxy-N-(2,3,5,6-tetramethylphenyl)propanamide
CID 115140366
(2,3,5,6-tetramethylphenyl)carbamic acid
CID 115170617
N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188860
N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide
CID 115188720
2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
CID 115188762
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide
CID 43246820
2-amino-N-(2,3,5,6-tetramethylphenyl)acetamide
CID 82492252
2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one
CID 116923949
ethyl 2-(methylaminomethyl)butanoate
CID 23272258

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide?
The IUPAC name of 2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide (CID 115188725) is 2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide is CCC(CNC)C(=O)Nc1c(C)c(C)cc(C)c1C.
What is the InChIKey of 2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide?
The InChIKey is LIRRRUYSJCAALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-7-14(9-17-6)16(19)18-15-12(4)10(2)8-11(3)13(15)5/h8,14,17H,7,9H2,1-6H3,(H,18,19).
What are the key properties of 2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide?
2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide has a molecular weight of 262.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide is sourced from PubChem (CID 115188725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).