2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol

C16H25Cl3N2O3 — CID 67896039

IUPAC2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.OC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C14H22N2O.C2H3Cl3O2/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;3-2(4,5)1(6)7/h7-9H,5-6,10H2,1-4H3,(H,15,17);1,6-7H
InChIKeyQOGPPHRREJOBKG-UHFFFAOYSA-N
MW399.75 g/mol
LogP3.25
Rot. Bonds5

About 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol (PubChem CID 67896039) has the molecular formula C16H25Cl3N2O3 and a molecular weight of 399.75 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
PubChem CID67896039
Molecular FormulaC16H25Cl3N2O3
Molecular Weight399.75 g/mol
Exact Mass398.09
IUPAC Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.OC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C14H22N2O.C2H3Cl3O2/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;3-2(4,5)1(6)7/h7-9H,5-6,10H2,1-4H3,(H,15,17);1,6-7H
InChIKeyQOGPPHRREJOBKG-UHFFFAOYSA-N
XLogP3.25
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.75
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene
CID 174517449
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
CID 660469
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
CID 155092368
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87600437
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-hydroxy-2,2-diphenylacetamide
CID 167875350

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol?
The IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol (CID 67896039) is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol.
What is the SMILES notation for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol?
The canonical SMILES for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol is CCN(CC)CC(=O)Nc1c(C)cccc1C.OC(O)C(Cl)(Cl)Cl.
What is the InChIKey of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol?
The InChIKey is QOGPPHRREJOBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C2H3Cl3O2/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;3-2(4,5)1(6)7/h7-9H,5-6,10H2,1-4H3,(H,15,17);1,6-7H.
What are the key properties of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol?
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol has a molecular weight of 399.75 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol is sourced from PubChem (CID 67896039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).