2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide

C23H23NO3 — CID 44532536

IUPAC2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide
SMILESO=C(Cc1cccc(O)c1)NCC(Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C23H23NO3/c25-21-11-9-17(10-12-21)13-20(19-6-2-1-3-7-19)16-24-23(27)15-18-5-4-8-22(26)14-18/h1-12,14,20,25-26H,13,15-16H2,(H,24,27)
InChIKeyWRQXWOHFBXAFQO-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.78
Rot. Bonds7

About 2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide

2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide (PubChem CID 44532536) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide
PubChem CID44532536
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide
SMILESO=C(Cc1cccc(O)c1)NCC(Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C23H23NO3/c25-21-11-9-17(10-12-21)13-20(19-6-2-1-3-7-19)16-24-23(27)15-18-5-4-8-22(26)14-18/h1-12,14,20,25-26H,13,15-16H2,(H,24,27)
InChIKeyWRQXWOHFBXAFQO-UHFFFAOYSA-N
XLogP3.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide (CID 44532536) is 2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide is O=C(Cc1cccc(O)c1)NCC(Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide?
The InChIKey is WRQXWOHFBXAFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c25-21-11-9-17(10-12-21)13-20(19-6-2-1-3-7-19)16-24-23(27)15-18-5-4-8-22(26)14-18/h1-12,14,20,25-26H,13,15-16H2,(H,24,27).
What are the key properties of 2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide?
2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide has a molecular weight of 361.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide is sourced from PubChem (CID 44532536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).