[2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate

C16H18N2O4 — CID 67910941

IUPAC[2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate
SMILESO=C(CNc1ccc(O)cc1)Oc1ccccc1NCCO
InChIInChI=1S/C16H18N2O4/c19-10-9-17-14-3-1-2-4-15(14)22-16(21)11-18-12-5-7-13(20)8-6-12/h1-8,17-20H,9-11H2
InChIKeySZXDRUZWYDASEN-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.81
Rot. Bonds7

About [2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate

[2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate (PubChem CID 67910941) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate.

Molecular Properties

Compound Name[2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate
PubChem CID67910941
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name[2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate
SMILESO=C(CNc1ccc(O)cc1)Oc1ccccc1NCCO
InChIInChI=1S/C16H18N2O4/c19-10-9-17-14-3-1-2-4-15(14)22-16(21)11-18-12-5-7-13(20)8-6-12/h1-8,17-20H,9-11H2
InChIKeySZXDRUZWYDASEN-UHFFFAOYSA-N
XLogP1.81
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-(4-hydroxyanilino)acetate
CID 22630318
[2-(2-hydroxyethylamino)phenoxy]boronic acid
CID 150690493
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
[2-(pentylamino)phenyl] propanoate
CID 90097401
2-anilinoethanol;1,3-dihydroxypropan-2-one
CID 67927731
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
azane;2-(4-hydroxyanilino)acetic acid
CID 70465187
2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid
CID 158141355
oxan-4-yl 2-(4-hydroxyanilino)acetate
CID 61287147
4-methylpentyl 2-(4-hydroxyanilino)acetate
CID 61303683
4-(4-hydroxyanilino)-2-[2-(2-methoxyanilino)ethylamino]-4-oxobutanoic acid
CID 16803526

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate?
The IUPAC name of [2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate (CID 67910941) is [2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate.
What is the SMILES notation for [2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate?
The canonical SMILES for [2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate is O=C(CNc1ccc(O)cc1)Oc1ccccc1NCCO.
What is the InChIKey of [2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate?
The InChIKey is SZXDRUZWYDASEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-10-9-17-14-3-1-2-4-15(14)22-16(21)11-18-12-5-7-13(20)8-6-12/h1-8,17-20H,9-11H2.
What are the key properties of [2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate?
[2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate has a molecular weight of 302.33 g/mol, XLogP of 1.81, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate is sourced from PubChem (CID 67910941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).