ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate

C13H19NO4 — CID 60786403

IUPACethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
SMILESCCOC(=O)C(NC)c1cc(OC)ccc1OC
InChIInChI=1S/C13H19NO4/c1-5-18-13(15)12(14-2)10-8-9(16-3)6-7-11(10)17-4/h6-8,12,14H,5H2,1-4H3
InChIKeyYBKMHLFILQVMMH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.53
Rot. Bonds6

About ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate

ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate (PubChem CID 60786403) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
PubChem CID60786403
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
SMILESCCOC(=O)C(NC)c1cc(OC)ccc1OC
InChIInChI=1S/C13H19NO4/c1-5-18-13(15)12(14-2)10-8-9(16-3)6-7-11(10)17-4/h6-8,12,14H,5H2,1-4H3
InChIKeyYBKMHLFILQVMMH-UHFFFAOYSA-N
XLogP1.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60795865
ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961334
ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60787918
ethyl (3S)-3-amino-3-(2,5-dimethoxyphenyl)-2-fluoropropanoate
CID 171246365
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961319
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
methyl 2-[(2,5-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62395093
ethyl 2-(5-bromo-2-methoxyphenyl)-2-(prop-2-enylamino)acetate
CID 62353678
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate
CID 54918830

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate?
The IUPAC name of ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate (CID 60786403) is ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate.
What is the SMILES notation for ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate?
The canonical SMILES for ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate is CCOC(=O)C(NC)c1cc(OC)ccc1OC.
What is the InChIKey of ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate?
The InChIKey is YBKMHLFILQVMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-5-18-13(15)12(14-2)10-8-9(16-3)6-7-11(10)17-4/h6-8,12,14H,5H2,1-4H3.
What are the key properties of ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate?
ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate has a molecular weight of 253.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate is sourced from PubChem (CID 60786403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).