ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate

C14H21NO4 — CID 54918350

IUPACethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
SMILESCCNC(C(=O)OCC)c1cccc(OC)c1OC
InChIInChI=1S/C14H21NO4/c1-5-15-12(14(16)19-6-2)10-8-7-9-11(17-3)13(10)18-4/h7-9,12,15H,5-6H2,1-4H3
InChIKeyYBSQWSJCKLHSIY-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.92
Rot. Bonds7

About ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate

ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate (PubChem CID 54918350) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
PubChem CID54918350
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
SMILESCCNC(C(=O)OCC)c1cccc(OC)c1OC
InChIInChI=1S/C14H21NO4/c1-5-15-12(14(16)19-6-2)10-8-7-9-11(17-3)13(10)18-4/h7-9,12,15H,5-6H2,1-4H3
InChIKeyYBSQWSJCKLHSIY-UHFFFAOYSA-N
XLogP1.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2,3-dimethoxyphenyl)-3-(propylamino)propanoate
CID 65235512
methyl 2-(2,3-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 60997634
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62394370
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62397786
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine
CID 80605401
1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629
2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid
CID 84747107
1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105163057
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate?
The IUPAC name of ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate (CID 54918350) is ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate.
What is the SMILES notation for ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate?
The canonical SMILES for ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate is CCNC(C(=O)OCC)c1cccc(OC)c1OC.
What is the InChIKey of ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate?
The InChIKey is YBSQWSJCKLHSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-15-12(14(16)19-6-2)10-8-7-9-11(17-3)13(10)18-4/h7-9,12,15H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate?
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate has a molecular weight of 267.32 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate is sourced from PubChem (CID 54918350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).