2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide

C15H19NO — CID 115662051

IUPAC2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide
SMILESC#CCC(C)NC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H19NO/c1-5-6-13(4)16-15(17)10-14-9-11(2)7-8-12(14)3/h1,7-9,13H,6,10H2,2-4H3,(H,16,17)
InChIKeyVZIOOEUUQBSLGA-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.37
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide

2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide (PubChem CID 115662051) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide
PubChem CID115662051
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide
SMILESC#CCC(C)NC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H19NO/c1-5-6-13(4)16-15(17)10-14-9-11(2)7-8-12(14)3/h1,7-9,13H,6,10H2,2-4H3,(H,16,17)
InChIKeyVZIOOEUUQBSLGA-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
CID 115665144
N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide
CID 106354683
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate
CID 62538862
2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920089
N-(1-aminopentan-2-yl)-2-(2,5-dimethylphenyl)acetamide
CID 65191208
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 62538832
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide (CID 115662051) is 2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide is C#CCC(C)NC(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide?
The InChIKey is VZIOOEUUQBSLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-6-13(4)16-15(17)10-14-9-11(2)7-8-12(14)3/h1,7-9,13H,6,10H2,2-4H3,(H,16,17).
What are the key properties of 2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide?
2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide has a molecular weight of 229.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide is sourced from PubChem (CID 115662051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).