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

C28H33NO3 — CID 134249320

IUPAC2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCc2ccccc2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C28H33NO3/c1-19(2)25-16-23(10-11-27(25)30)17-26-20(3)14-24(15-21(26)4)32-18-28(31)29-13-12-22-8-6-5-7-9-22/h5-11,14-16,19,30H,12-13,17-18H2,1-4H3,(H,29,31)
InChIKeyBPCRRQUVXLGADR-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.46
Rot. Bonds9

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

2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide (PubChem CID 134249320) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide
PubChem CID134249320
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCc2ccccc2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C28H33NO3/c1-19(2)25-16-23(10-11-27(25)30)17-26-20(3)14-24(15-21(26)4)32-18-28(31)29-13-12-22-8-6-5-7-9-22/h5-11,14-16,19,30H,12-13,17-18H2,1-4H3,(H,29,31)
InChIKeyBPCRRQUVXLGADR-UHFFFAOYSA-N
XLogP5.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)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 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide (CID 134249320) is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide is Cc1cc(OCC(=O)NCCc2ccccc2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide?
The InChIKey is BPCRRQUVXLGADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-19(2)25-16-23(10-11-27(25)30)17-26-20(3)14-24(15-21(26)4)32-18-28(31)29-13-12-22-8-6-5-7-9-22/h5-11,14-16,19,30H,12-13,17-18H2,1-4H3,(H,29,31).
What are the key properties of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide?
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide has a molecular weight of 431.58 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 134249320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).