ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate

C17H19NO3 — CID 43321719

IUPACethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-17(20)14-4-8-15(9-5-14)18-12(2)13-6-10-16(19)11-7-13/h4-12,18-19H,3H2,1-2H3
InChIKeyQNAUWOFHEZTBPK-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.74
Rot. Bonds5

About ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate

ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate (PubChem CID 43321719) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate
PubChem CID43321719
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-17(20)14-4-8-15(9-5-14)18-12(2)13-6-10-16(19)11-7-13/h4-12,18-19H,3H2,1-2H3
InChIKeyQNAUWOFHEZTBPK-UHFFFAOYSA-N
XLogP3.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 172883005
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ethyl 4-(1-aminopropan-2-ylamino)benzoate
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ethyl 4-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
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ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
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ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate
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ethyl 4-[[3-oxo-3-(4-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954393
ethyl 4-hydroxybenzoate;propane-1,2,3-triol
CID 158935793
ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
CID 19432093
ethyl 3-[1-(4-fluorophenyl)ethylamino]benzoate
CID 43217241
ethyl 3-[1-(4-bromophenyl)ethylamino]benzoate
CID 43321951
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CID 42599434

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate?
The IUPAC name of ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate (CID 43321719) is ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate.
What is the SMILES notation for ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate?
The canonical SMILES for ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate is CCOC(=O)c1ccc(NC(C)c2ccc(O)cc2)cc1.
What is the InChIKey of ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate?
The InChIKey is QNAUWOFHEZTBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-17(20)14-4-8-15(9-5-14)18-12(2)13-6-10-16(19)11-7-13/h4-12,18-19H,3H2,1-2H3.
What are the key properties of ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate?
ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate is sourced from PubChem (CID 43321719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).