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

C14H21NO3 — CID 116961319

IUPACethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
SMILESCCOC(=O)C(NC)c1ccc(OC)c(CC)c1
InChIInChI=1S/C14H21NO3/c1-5-10-9-11(7-8-12(10)17-4)13(15-3)14(16)18-6-2/h7-9,13,15H,5-6H2,1-4H3
InChIKeyKNJNDKPAQPYOIG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds6

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

ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate (PubChem CID 116961319) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
PubChem CID116961319
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
SMILESCCOC(=O)C(NC)c1ccc(OC)c(CC)c1
InChIInChI=1S/C14H21NO3/c1-5-10-9-11(7-8-12(10)17-4)13(15-3)14(16)18-6-2/h7-9,13,15H,5-6H2,1-4H3
InChIKeyKNJNDKPAQPYOIG-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
CID 82473167
ethyl 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)acetate
CID 60788246
ethyl (2S)-2-(3,4-difluorophenyl)-2-(methylamino)acetate
CID 51888823
ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
CID 60786403
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762
ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate
CID 58566780
ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60787918
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-[5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2-methoxyphenyl]acetic acid
CID 171866985
methyl 4-amino-4-(3-ethyl-4-methoxyphenyl)butanoate
CID 116940192
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate?
The IUPAC name of ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate (CID 116961319) is ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate.
What is the SMILES notation for ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate?
The canonical SMILES for ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate is CCOC(=O)C(NC)c1ccc(OC)c(CC)c1.
What is the InChIKey of ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate?
The InChIKey is KNJNDKPAQPYOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-10-9-11(7-8-12(10)17-4)13(15-3)14(16)18-6-2/h7-9,13,15H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate?
ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate is sourced from PubChem (CID 116961319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).