N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide

C15H15NO — CID 20510050

IUPACN-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide
SMILESC#CCN(C(=O)C#CC)c1c(C)cccc1C
InChIInChI=1S/C15H15NO/c1-5-8-14(17)16(11-6-2)15-12(3)9-7-10-13(15)4/h2,7,9-10H,11H2,1,3-4H3
InChIKeyGPEQNPLXFQFFMX-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.29
Rot. Bonds2

About N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide

N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide (PubChem CID 20510050) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide
PubChem CID20510050
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC NameN-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide
SMILESC#CCN(C(=O)C#CC)c1c(C)cccc1C
InChIInChI=1S/C15H15NO/c1-5-8-14(17)16(11-6-2)15-12(3)9-7-10-13(15)4/h2,7,9-10H,11H2,1,3-4H3
InChIKeyGPEQNPLXFQFFMX-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethyl-N-prop-2-ynylanilino)propanoic acid
CID 82320215
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)-N-prop-2-ynylacetamide
CID 21487534
(2,6-dimethyl-N-prop-2-ynylanilino)oxy hypochlorite
CID 20510054
3-methyl-2-[methyl(prop-2-ynyl)amino]benzonitrile
CID 107107122
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide
CID 12581419
N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline
CID 134226172
2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
CID 78971123
N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide
CID 78970730
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
2,6-dimethyl-N-prop-2-ynylbenzamide
CID 103767922

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide (CID 20510050) is N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide is C#CCN(C(=O)C#CC)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide?
The InChIKey is GPEQNPLXFQFFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-5-8-14(17)16(11-6-2)15-12(3)9-7-10-13(15)4/h2,7,9-10H,11H2,1,3-4H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide?
N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide has a molecular weight of 225.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide is sourced from PubChem (CID 20510050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).