[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate

C23H21NO5 — CID 4875105

IUPAC[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate
SMILESCCOc1ccccc1NC(=O)C(OC(=O)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C23H21NO5/c1-2-28-20-11-7-6-10-19(20)24-22(26)21(16-8-4-3-5-9-16)29-23(27)17-12-14-18(25)15-13-17/h3-15,21,25H,2H2,1H3,(H,24,26)
InChIKeyIACVUGNZOPLPHX-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.33
Rot. Bonds7

About [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate

[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate (PubChem CID 4875105) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate
PubChem CID4875105
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate
SMILESCCOc1ccccc1NC(=O)C(OC(=O)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C23H21NO5/c1-2-28-20-11-7-6-10-19(20)24-22(26)21(16-8-4-3-5-9-16)29-23(27)17-12-14-18(25)15-13-17/h3-15,21,25H,2H2,1H3,(H,24,26)
InChIKeyIACVUGNZOPLPHX-UHFFFAOYSA-N
XLogP4.33
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 26391
CID 26391
CID 28689
CID 28689
CID 11504627
CID 11504627
CID 91808023
CID 91808023
CID 24762081
CID 24762081
CID 226518
CID 226518
CID 1712309
CID 1712309
CID 10447329
CID 10447329
CID 204987
CID 204987
CID 2867477
CID 2867477
CID 60836
CID 60836
CID 882926
CID 882926

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate (CID 4875105) is [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate is CCOc1ccccc1NC(=O)C(OC(=O)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate?
The InChIKey is IACVUGNZOPLPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-2-28-20-11-7-6-10-19(20)24-22(26)21(16-8-4-3-5-9-16)29-23(27)17-12-14-18(25)15-13-17/h3-15,21,25H,2H2,1H3,(H,24,26).
What are the key properties of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate?
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate has a molecular weight of 391.42 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate is sourced from PubChem (CID 4875105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).