methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate

C15H23NO5 — CID 43725845

IUPACmethyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H23NO5/c1-15(2,14(17)21-6)16-9-11-12(19-4)7-10(18-3)8-13(11)20-5/h7-8,16H,9H2,1-6H3
InChIKeyWLHXYNUBCAFCES-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.75
Rot. Bonds7

About methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate

methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate (PubChem CID 43725845) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
PubChem CID43725845
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namemethyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H23NO5/c1-15(2,14(17)21-6)16-9-11-12(19-4)7-10(18-3)8-13(11)20-5/h7-8,16H,9H2,1-6H3
InChIKeyWLHXYNUBCAFCES-UHFFFAOYSA-N
XLogP1.75
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate
CID 113456323
methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
CID 116927600
methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
CID 116963092
(2S)-2-amino-3,3-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119733862
methyl 2-[(2,6-difluorophenyl)methylamino]-2-methylpropanoate
CID 43725907
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
methyl (3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
CID 171246663
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
3,3-dimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 98033306
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119295082
methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate
CID 59694298

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate (CID 43725845) is methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate is COC(=O)C(C)(C)NCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The InChIKey is WLHXYNUBCAFCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-15(2,14(17)21-6)16-9-11-12(19-4)7-10(18-3)8-13(11)20-5/h7-8,16H,9H2,1-6H3.
What are the key properties of methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate has a molecular weight of 297.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 43725845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).