2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide

C15H20N2O — CID 106211682

IUPAC2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
SMILESC#CCCCCNCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H20N2O/c1-3-4-5-6-11-16-12-15(18)17-14-9-7-13(2)8-10-14/h1,7-10,16H,4-6,11-12H2,2H3,(H,17,18)
InChIKeyOUICZJSVKKCADP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.33
Rot. Bonds7

About 2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide

2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide (PubChem CID 106211682) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
PubChem CID106211682
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
SMILESC#CCCCCNCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H20N2O/c1-3-4-5-6-11-16-12-15(18)17-14-9-7-13(2)8-10-14/h1,7-10,16H,4-6,11-12H2,2H3,(H,17,18)
InChIKeyOUICZJSVKKCADP-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide
CID 106211596
2-(pent-4-ynylamino)-N-phenylacetamide
CID 106221583
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(4-methylphenyl)pent-4-ynamide
CID 82363120
2-(hex-5-ynylamino)-N-(2-methylphenyl)acetamide
CID 106211416
N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide
CID 106211851
2-(hex-5-ynylamino)-N-(2-methoxyphenyl)acetamide
CID 106211964
2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide
CID 106309850
N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115571750
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124

Frequently Asked Questions

What is the IUPAC name of 2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide (CID 106211682) is 2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide is C#CCCCCNCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide?
The InChIKey is OUICZJSVKKCADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-5-6-11-16-12-15(18)17-14-9-7-13(2)8-10-14/h1,7-10,16H,4-6,11-12H2,2H3,(H,17,18).
What are the key properties of 2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide?
2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 106211682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).