ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate

C14H21NO4 — CID 102362132

IUPACethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1ccc(OC)cc1O
InChIInChI=1S/C14H21NO4/c1-4-8-15-13(14(17)19-5-2)11-7-6-10(18-3)9-12(11)16/h6-7,9,13,15-16H,4-5,8H2,1-3H3
InChIKeySSWRNOKFYUPLDR-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.00
Rot. Bonds7

About ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate

ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate (PubChem CID 102362132) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate
PubChem CID102362132
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1ccc(OC)cc1O
InChIInChI=1S/C14H21NO4/c1-4-8-15-13(14(17)19-5-2)11-7-6-10(18-3)9-12(11)16/h6-7,9,13,15-16H,4-5,8H2,1-3H3
InChIKeySSWRNOKFYUPLDR-UHFFFAOYSA-N
XLogP2.00
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
5-methoxy-2-[phenyl(propylamino)methyl]phenol
CID 24705349
ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961334
2-(6-methoxynaphthalen-2-yl)-2-(propylamino)acetamide
CID 60795776
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 170875667
ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
CID 60786403
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
CID 54977746
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate?
The IUPAC name of ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate (CID 102362132) is ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate?
The canonical SMILES for ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate is CCCNC(C(=O)OCC)c1ccc(OC)cc1O.
What is the InChIKey of ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate?
The InChIKey is SSWRNOKFYUPLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-8-15-13(14(17)19-5-2)11-7-6-10(18-3)9-12(11)16/h6-7,9,13,15-16H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate?
ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate has a molecular weight of 267.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate is sourced from PubChem (CID 102362132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).