ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate

C14H21NO5 — CID 60787918

IUPACethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
SMILESCCOC(=O)C(NC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-6-20-14(16)13(15-2)12-10(18-4)7-9(17-3)8-11(12)19-5/h7-8,13,15H,6H2,1-5H3
InChIKeyARCSENCVCAUNQA-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.54
Rot. Bonds7

About ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate

ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate (PubChem CID 60787918) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
PubChem CID60787918
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
SMILESCCOC(=O)C(NC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-6-20-14(16)13(15-2)12-10(18-4)7-9(17-3)8-11(12)19-5/h7-8,13,15H,6H2,1-5H3
InChIKeyARCSENCVCAUNQA-UHFFFAOYSA-N
XLogP1.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
CID 60786403
methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60796374
ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate
CID 79369051
ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961319
ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961334
ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 61498510
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171242047
methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604184
diethyl 2-[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]propanedioate
CID 132570382
2-(cyclopropylmethylamino)-2-(2,4,6-trimethoxyphenyl)acetamide
CID 60995248
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
ethyl 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)acetate
CID 60788246

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate?
The IUPAC name of ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate (CID 60787918) is ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate is CCOC(=O)C(NC)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate?
The InChIKey is ARCSENCVCAUNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-6-20-14(16)13(15-2)12-10(18-4)7-9(17-3)8-11(12)19-5/h7-8,13,15H,6H2,1-5H3.
What are the key properties of ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate?
ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate has a molecular weight of 283.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate is sourced from PubChem (CID 60787918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).