2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate

C14H21NO4 — CID 106448108

IUPAC2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate
SMILESCC(C)COCCOC(=O)CNc1ccc(O)cc1
InChIInChI=1S/C14H21NO4/c1-11(2)10-18-7-8-19-14(17)9-15-12-3-5-13(16)6-4-12/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyYSOPTMWCTCGTQG-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.02
Rot. Bonds8

About 2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate

2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate (PubChem CID 106448108) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate
PubChem CID106448108
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate
SMILESCC(C)COCCOC(=O)CNc1ccc(O)cc1
InChIInChI=1S/C14H21NO4/c1-11(2)10-18-7-8-19-14(17)9-15-12-3-5-13(16)6-4-12/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyYSOPTMWCTCGTQG-UHFFFAOYSA-N
XLogP2.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate (CID 106448108) is 2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate is CC(C)COCCOC(=O)CNc1ccc(O)cc1.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate?
The InChIKey is YSOPTMWCTCGTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-11(2)10-18-7-8-19-14(17)9-15-12-3-5-13(16)6-4-12/h3-6,11,15-16H,7-10H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate?
2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate has a molecular weight of 267.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate is sourced from PubChem (CID 106448108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).