2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide

C14H22N2O — CID 54940546

IUPAC2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O/c1-4-5-16-14(17)10-15-9-13-7-11(2)6-12(3)8-13/h6-8,15H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeyHFDZNAOMICJHNU-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.92
Rot. Bonds6

About 2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide

2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide (PubChem CID 54940546) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
PubChem CID54940546
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O/c1-4-5-16-14(17)10-15-9-13-7-11(2)6-12(3)8-13/h6-8,15H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeyHFDZNAOMICJHNU-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide
CID 60657940
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
CID 43406327
2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
CID 43221381
2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 62125646
methyl 2-[(3,5-dimethylphenyl)methylamino]acetate
CID 60687760
2-[(3,5-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687465
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103239119
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide
CID 43399922
2-chloro-N-[(3,5-dimethylphenyl)methyl]acetamide
CID 12767964
2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
CID 43221669

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide (CID 54940546) is 2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cc(C)cc(C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide?
The InChIKey is HFDZNAOMICJHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-16-14(17)10-15-9-13-7-11(2)6-12(3)8-13/h6-8,15H,4-5,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide?
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide has a molecular weight of 234.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide is sourced from PubChem (CID 54940546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).