4-ethoxy-N-(4-hydroxyphenyl)benzamide

C15H15NO3 — CID 13388921

IUPAC4-ethoxy-N-(4-hydroxyphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO3/c1-2-19-14-9-3-11(4-10-14)15(18)16-12-5-7-13(17)8-6-12/h3-10,17H,2H2,1H3,(H,16,18)
InChIKeyNCTLSVIDMGPIMH-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.04
Rot. Bonds4

About 4-ethoxy-N-(4-hydroxyphenyl)benzamide

4-ethoxy-N-(4-hydroxyphenyl)benzamide (PubChem CID 13388921) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-ethoxy-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-hydroxyphenyl)benzamide
PubChem CID13388921
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-ethoxy-N-(4-hydroxyphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO3/c1-2-19-14-9-3-11(4-10-14)15(18)16-12-5-7-13(17)8-6-12/h3-10,17H,2H2,1H3,(H,16,18)
InChIKeyNCTLSVIDMGPIMH-UHFFFAOYSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 4-ethoxy-N-(4-hydroxyphenyl)benzamide (CID 13388921) is 4-ethoxy-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(4-hydroxyphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-(4-hydroxyphenyl)benzamide?
The InChIKey is NCTLSVIDMGPIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-19-14-9-3-11(4-10-14)15(18)16-12-5-7-13(17)8-6-12/h3-10,17H,2H2,1H3,(H,16,18).
What are the key properties of 4-ethoxy-N-(4-hydroxyphenyl)benzamide?
4-ethoxy-N-(4-hydroxyphenyl)benzamide has a molecular weight of 257.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 13388921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).