N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide

C26H29NO4 — CID 134259912

IUPACN-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(O)c2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C26H29NO4/c1-16(2)23-12-19(8-9-25(23)29)13-24-17(3)10-22(11-18(24)4)31-15-26(30)27-20-6-5-7-21(28)14-20/h5-12,14,16,28-29H,13,15H2,1-4H3,(H,27,30)
InChIKeyXSFSXBQZGXGGJZ-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.45
Rot. Bonds7

About N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide

N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (PubChem CID 134259912) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
PubChem CID134259912
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC NameN-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(O)c2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C26H29NO4/c1-16(2)23-12-19(8-9-25(23)29)13-24-17(3)10-22(11-18(24)4)31-15-26(30)27-20-6-5-7-21(28)14-20/h5-12,14,16,28-29H,13,15H2,1-4H3,(H,27,30)
InChIKeyXSFSXBQZGXGGJZ-UHFFFAOYSA-N
XLogP5.45
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (CID 134259912) is N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is Cc1cc(OCC(=O)Nc2cccc(O)c2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The InChIKey is XSFSXBQZGXGGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-16(2)23-12-19(8-9-25(23)29)13-24-17(3)10-22(11-18(24)4)31-15-26(30)27-20-6-5-7-21(28)14-20/h5-12,14,16,28-29H,13,15H2,1-4H3,(H,27,30).
What are the key properties of N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide has a molecular weight of 419.52 g/mol, XLogP of 5.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is sourced from PubChem (CID 134259912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).