methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate

C15H24N2O3 — CID 60993508

IUPACmethyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
SMILESCCN(CC)CCNC(C(=O)OC)c1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-4-17(5-2)11-10-16-14(15(19)20-3)12-6-8-13(18)9-7-12/h6-9,14,16,18H,4-5,10-11H2,1-3H3
InChIKeyNCTHUYLHFXOXLF-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.54
Rot. Bonds8

About methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate

methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate (PubChem CID 60993508) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
PubChem CID60993508
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
SMILESCCN(CC)CCNC(C(=O)OC)c1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-4-17(5-2)11-10-16-14(15(19)20-3)12-6-8-13(18)9-7-12/h6-9,14,16,18H,4-5,10-11H2,1-3H3
InChIKeyNCTHUYLHFXOXLF-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate
CID 110185768
methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate
CID 115524534
methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
CID 10125222
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 110185926
3-methylbutyl (2R)-2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 51590030
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-[4-(trifluoromethyl)phenyl]acetate
CID 110185867
methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate
CID 113373026
methyl 2-(4-ethylphenyl)-2-(propylamino)acetate
CID 60795755
2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 61036831
1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 110186176

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate (CID 60993508) is methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate is CCN(CC)CCNC(C(=O)OC)c1ccc(O)cc1.
What is the InChIKey of methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate?
The InChIKey is NCTHUYLHFXOXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-17(5-2)11-10-16-14(15(19)20-3)12-6-8-13(18)9-7-12/h6-9,14,16,18H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate?
methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate has a molecular weight of 280.37 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 60993508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).