ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate

C14H21NO3 — CID 171986152

IUPACethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
SMILESCCOC(=O)C(OCCN(C)C)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-4-17-14(16)13(18-11-10-15(2)3)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3
InChIKeyVQLICDOFFZZUOH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.87
Rot. Bonds7

About ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate

ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate (PubChem CID 171986152) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
PubChem CID171986152
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
SMILESCCOC(=O)C(OCCN(C)C)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-4-17-14(16)13(18-11-10-15(2)3)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3
InChIKeyVQLICDOFFZZUOH-UHFFFAOYSA-N
XLogP1.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(dimethylamino)ethoxy]-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

ethyl 2-heptoxy-2-phenylacetate
CID 106676796
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
CID 106676840
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
CID 106676848
benzyl 2-phenyl-2-propoxyacetate
CID 57015298
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611
ethyl 2-[2-(dimethylamino)ethylsulfanyl]-2-phenylacetate
CID 113338798
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
methyl (2R)-2-decoxy-2-phenylacetate
CID 45114277
N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide
CID 154248035

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate (CID 171986152) is ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate is CCOC(=O)C(OCCN(C)C)c1ccccc1.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate?
The InChIKey is VQLICDOFFZZUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-17-14(16)13(18-11-10-15(2)3)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate?
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate has a molecular weight of 251.33 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate is sourced from PubChem (CID 171986152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).