methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate

C13H19NO3 — CID 116856998

IUPACmethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
SMILESCCc1cc(C(NC)C(=O)OC)ccc1OC
InChIInChI=1S/C13H19NO3/c1-5-9-8-10(6-7-11(9)16-3)12(14-2)13(15)17-4/h6-8,12,14H,5H2,1-4H3
InChIKeyIKTMHCUODDNINY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.69
Rot. Bonds5

About methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate

methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate (PubChem CID 116856998) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
PubChem CID116856998
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
SMILESCCc1cc(C(NC)C(=O)OC)ccc1OC
InChIInChI=1S/C13H19NO3/c1-5-9-8-10(6-7-11(9)16-3)12(14-2)13(15)17-4/h6-8,12,14H,5H2,1-4H3
InChIKeyIKTMHCUODDNINY-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961319
2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
CID 82473167
methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
CID 60788044
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
methyl 4-amino-4-(3-ethyl-4-methoxyphenyl)butanoate
CID 116940192
ethyl 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)acetate
CID 60788246
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
CID 82281977
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116845766
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011
2-(3-fluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 65096535

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate?
The IUPAC name of methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate (CID 116856998) is methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate.
What is the SMILES notation for methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate?
The canonical SMILES for methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate is CCc1cc(C(NC)C(=O)OC)ccc1OC.
What is the InChIKey of methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate?
The InChIKey is IKTMHCUODDNINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-9-8-10(6-7-11(9)16-3)12(14-2)13(15)17-4/h6-8,12,14H,5H2,1-4H3.
What are the key properties of methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate?
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate is sourced from PubChem (CID 116856998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).