methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate

C14H21NO4 — CID 62540496

IUPACmethyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate
SMILESCOCCNC(C(=O)OC)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H21NO4/c1-9-7-11(8-10(2)13(9)16)12(14(17)19-4)15-5-6-18-3/h7-8,12,15-16H,5-6H2,1-4H3
InChIKeyXKHLPGVHEZTHTH-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.46
Rot. Bonds6

About methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate

methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate (PubChem CID 62540496) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate
PubChem CID62540496
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate
SMILESCOCCNC(C(=O)OC)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H21NO4/c1-9-7-11(8-10(2)13(9)16)12(14(17)19-4)15-5-6-18-3/h7-8,12,15-16H,5-6H2,1-4H3
InChIKeyXKHLPGVHEZTHTH-UHFFFAOYSA-N
XLogP1.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
CID 55084780
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
2-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227
methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60796972
ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
CID 107690318
methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
CID 62540489
2-[2-(dimethylamino)ethylamino]-2-(4-hydroxy-3,5-dimethylphenyl)acetamide
CID 60996341
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
CID 65096691
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
CID 102841044
ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 55084921
2-(3-bromophenyl)-2-(2-methoxyethylamino)acetamide
CID 62540999
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate?
The IUPAC name of methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate (CID 62540496) is methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate.
What is the SMILES notation for methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate?
The canonical SMILES for methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate is COCCNC(C(=O)OC)c1cc(C)c(O)c(C)c1.
What is the InChIKey of methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate?
The InChIKey is XKHLPGVHEZTHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-7-11(8-10(2)13(9)16)12(14(17)19-4)15-5-6-18-3/h7-8,12,15-16H,5-6H2,1-4H3.
What are the key properties of methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate?
methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate has a molecular weight of 267.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 62540496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).