N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide

C22H27NO3 — CID 50976736

IUPACN-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cc(C)c(C)cc2C)O[C@@H](c2cccc(O)c2)C1
InChIInChI=1S/C22H27NO3/c1-13-8-15(3)20(9-14(13)2)22-12-18(23-16(4)24)11-21(26-22)17-6-5-7-19(25)10-17/h5-10,18,21-22,25H,11-12H2,1-4H3,(H,23,24)/t18-,21-,22+/m1/s1
InChIKeyWREQYPDWMMTHSD-QIJUGHKUSA-N
MW353.46 g/mol
LogP4.41
Rot. Bonds3

About N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide (PubChem CID 50976736) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide
PubChem CID50976736
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cc(C)c(C)cc2C)O[C@@H](c2cccc(O)c2)C1
InChIInChI=1S/C22H27NO3/c1-13-8-15(3)20(9-14(13)2)22-12-18(23-16(4)24)11-21(26-22)17-6-5-7-19(25)10-17/h5-10,18,21-22,25H,11-12H2,1-4H3,(H,23,24)/t18-,21-,22+/m1/s1
InChIKeyWREQYPDWMMTHSD-QIJUGHKUSA-N
XLogP4.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]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-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide (CID 50976736) is N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2cc(C)c(C)cc2C)O[C@@H](c2cccc(O)c2)C1.
What is the InChIKey of N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide?
The InChIKey is WREQYPDWMMTHSD-QIJUGHKUSA-N. The full InChI is InChI=1S/C22H27NO3/c1-13-8-15(3)20(9-14(13)2)22-12-18(23-16(4)24)11-21(26-22)17-6-5-7-19(25)10-17/h5-10,18,21-22,25H,11-12H2,1-4H3,(H,23,24)/t18-,21-,22+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide has a molecular weight of 353.46 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-(3-hydroxyphenyl)-6-(2,4,5-trimethylphenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 50976736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).