2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene

C23H30N2O2 — CID 174517449

IUPAC2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene
SMILESC#CCOc1ccccc1.CCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C14H22N2O.C9H8O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;1-2-8-10-9-6-4-3-5-7-9/h7-9H,5-6,10H2,1-4H3,(H,15,17);1,3-7H,8H2
InChIKeyGEPVOJILKUEWFO-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.28
Rot. Bonds7

About 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene (PubChem CID 174517449) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene
PubChem CID174517449
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene
SMILESC#CCOc1ccccc1.CCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C14H22N2O.C9H8O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;1-2-8-10-9-6-4-3-5-7-9/h7-9H,5-6,10H2,1-4H3,(H,15,17);1,3-7H,8H2
InChIKeyGEPVOJILKUEWFO-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87600437
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
ethane;prop-2-ynoxybenzene
CID 144946264
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
CID 135314309
2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 55695909

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene?
The IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene (CID 174517449) is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene.
What is the SMILES notation for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene?
The canonical SMILES for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene is C#CCOc1ccccc1.CCN(CC)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene?
The InChIKey is GEPVOJILKUEWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C9H8O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;1-2-8-10-9-6-4-3-5-7-9/h7-9H,5-6,10H2,1-4H3,(H,15,17);1,3-7H,8H2.
What are the key properties of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene?
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene has a molecular weight of 366.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene is sourced from PubChem (CID 174517449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).