(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate

C20H25NO2 — CID 16393

IUPAC(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate
SMILESCCN(CC)C(C(=O)Oc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-5-21(6-2)18(17-13-8-7-9-14-17)20(22)23-19-15(3)11-10-12-16(19)4/h7-14,18H,5-6H2,1-4H3
InChIKeyFYAILJKBSWZMNQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.29
Rot. Bonds6

About (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate

(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate (PubChem CID 16393) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate
PubChem CID16393
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate
SMILESCCN(CC)C(C(=O)Oc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-5-21(6-2)18(17-13-8-7-9-14-17)20(22)23-19-15(3)11-10-12-16(19)4/h7-14,18H,5-6H2,1-4H3
InChIKeyFYAILJKBSWZMNQ-UHFFFAOYSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
(2,6-dimethylphenyl) (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 12561810
2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate
CID 75420449
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
2-butoxyethyl 2-(diethylamino)-2-phenylacetate
CID 75452248
furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate
CID 97262289
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
(2,6-dimethylphenyl) 2-bromopropanoate
CID 167289802
2-(diethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 56538678
(1R)-1-[ethyl(methyl)amino]-1-phenylpropan-2-one
CID 66831262
N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride
CID 120506976
2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
CID 119359290

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate?
The IUPAC name of (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate (CID 16393) is (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate.
What is the SMILES notation for (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate?
The canonical SMILES for (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate is CCN(CC)C(C(=O)Oc1c(C)cccc1C)c1ccccc1.
What is the InChIKey of (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate?
The InChIKey is FYAILJKBSWZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-21(6-2)18(17-13-8-7-9-14-17)20(22)23-19-15(3)11-10-12-16(19)4/h7-14,18H,5-6H2,1-4H3.
What are the key properties of (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate?
(2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate has a molecular weight of 311.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) 2-(diethylamino)-2-phenylacetate is sourced from PubChem (CID 16393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).