methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate

C15H23NO4 — CID 43726039

IUPACmethyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO4/c1-10(16-15(2,3)14(17)20-6)12-8-7-11(18-4)9-13(12)19-5/h7-10,16H,1-6H3
InChIKeyBWRPLPLLTGYBFE-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.31
Rot. Bonds6

About methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate

methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate (PubChem CID 43726039) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate
PubChem CID43726039
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO4/c1-10(16-15(2,3)14(17)20-6)12-8-7-11(18-4)9-13(12)19-5/h7-10,16H,1-6H3
InChIKeyBWRPLPLLTGYBFE-UHFFFAOYSA-N
XLogP2.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanamide
CID 61218248
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate
CID 43725782
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
CID 43726174
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387329
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate (CID 43726039) is methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(C)c1ccc(OC)cc1OC.
What is the InChIKey of methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate?
The InChIKey is BWRPLPLLTGYBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10(16-15(2,3)14(17)20-6)12-8-7-11(18-4)9-13(12)19-5/h7-10,16H,1-6H3.
What are the key properties of methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate?
methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate has a molecular weight of 281.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate is sourced from PubChem (CID 43726039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).