methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate

C13H19NO4 — CID 60788044

IUPACmethyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
SMILESCCNC(C(=O)OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-5-14-12(13(15)18-4)9-6-7-10(16-2)11(8-9)17-3/h6-8,12,14H,5H2,1-4H3
InChIKeyOOYMRJAZCMYWAH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.53
Rot. Bonds6

About methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate

methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate (PubChem CID 60788044) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
PubChem CID60788044
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
SMILESCCNC(C(=O)OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-5-14-12(13(15)18-4)9-6-7-10(16-2)11(8-9)17-3/h6-8,12,14H,5H2,1-4H3
InChIKeyOOYMRJAZCMYWAH-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

methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79190712
methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
CID 60787024
methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate
CID 60785844
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
4-[[(1S)-1-(3,4-dimethoxyphenyl)-2-methoxy-2-oxoethyl]amino]-4-oxobutanoate
CID 7278721
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
methyl 2-[1-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 115353213
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate?
The IUPAC name of methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate (CID 60788044) is methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate.
What is the SMILES notation for methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate?
The canonical SMILES for methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate is CCNC(C(=O)OC)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate?
The InChIKey is OOYMRJAZCMYWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-5-14-12(13(15)18-4)9-6-7-10(16-2)11(8-9)17-3/h6-8,12,14H,5H2,1-4H3.
What are the key properties of methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate?
methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)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 methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate is sourced from PubChem (CID 60788044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).