methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate

C15H23NO3 — CID 115233101

IUPACmethyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate
SMILESCOC(=O)CNCCc1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C15H23NO3/c1-10-8-11(2)13(15(19-5)12(10)3)6-7-16-9-14(17)18-4/h8,16H,6-7,9H2,1-5H3
InChIKeyFGYWXQKSBYZBNY-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.93
Rot. Bonds6

About methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate

methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate (PubChem CID 115233101) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate
PubChem CID115233101
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate
SMILESCOC(=O)CNCCc1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C15H23NO3/c1-10-8-11(2)13(15(19-5)12(10)3)6-7-16-9-14(17)18-4/h8,16H,6-7,9H2,1-5H3
InChIKeyFGYWXQKSBYZBNY-UHFFFAOYSA-N
XLogP1.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamothioic S-acid
CID 115170353
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
CID 115259952
N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198816
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116927327
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
CID 115153253
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide
CID 116845553
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
N'-[(2-methoxy-3,4,6-trimethylphenyl)methyl]butane-1,4-diamine
CID 115201256

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate (CID 115233101) is methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate is COC(=O)CNCCc1c(C)cc(C)c(C)c1OC.
What is the InChIKey of methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate?
The InChIKey is FGYWXQKSBYZBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-8-11(2)13(15(19-5)12(10)3)6-7-16-9-14(17)18-4/h8,16H,6-7,9H2,1-5H3.
What are the key properties of methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate?
methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate has a molecular weight of 265.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate is sourced from PubChem (CID 115233101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).