2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide

C14H20N2O2 — CID 75871769

IUPAC2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCc1ccc(C)cc1C
InChIInChI=1S/C14H20N2O2/c1-9-5-6-13(10(2)7-9)8-15-14(18)11(3)16-12(4)17/h5-7,11H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyGLWFXLFGOHOKJZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.44
Rot. Bonds4

About 2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide

2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide (PubChem CID 75871769) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
PubChem CID75871769
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCc1ccc(C)cc1C
InChIInChI=1S/C14H20N2O2/c1-9-5-6-13(10(2)7-9)8-15-14(18)11(3)16-12(4)17/h5-7,11H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyGLWFXLFGOHOKJZ-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
3-[(2,4-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 115164254
1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110901359
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939174
(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
CID 94812450
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188860
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide?
The IUPAC name of 2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide (CID 75871769) is 2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide?
The canonical SMILES for 2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide is CC(=O)NC(C)C(=O)NCc1ccc(C)cc1C.
What is the InChIKey of 2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide?
The InChIKey is GLWFXLFGOHOKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-6-13(10(2)7-9)8-15-14(18)11(3)16-12(4)17/h5-7,11H,8H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide?
2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide is sourced from PubChem (CID 75871769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).