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

C23H29NO4 — CID 134249278

IUPAC2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide
SMILESCc1cc(OCC(=O)NC2COC2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C23H29NO4/c1-14(2)20-9-17(5-6-22(20)25)10-21-15(3)7-19(8-16(21)4)28-13-23(26)24-18-11-27-12-18/h5-9,14,18,25H,10-13H2,1-4H3,(H,24,26)
InChIKeyZUQZNEPOQWPVQA-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.62
Rot. Bonds7

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

2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide (PubChem CID 134249278) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide
PubChem CID134249278
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide
SMILESCc1cc(OCC(=O)NC2COC2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C23H29NO4/c1-14(2)20-9-17(5-6-22(20)25)10-21-15(3)7-19(8-16(21)4)28-13-23(26)24-18-11-27-12-18/h5-9,14,18,25H,10-13H2,1-4H3,(H,24,26)
InChIKeyZUQZNEPOQWPVQA-UHFFFAOYSA-N
XLogP3.62
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-isopropyl-2-(naphthalen-1-yloxy)acetamide
CID 3661886
N-ethyl-2-(naphthalen-1-yloxy)acetamide
CID 2504498
N-ethyl-2-(4-phenylphenoxy)acetamide
CID 2550541
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N,N-dimethylacetamide
CID 155534195
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide
CID 155546145
N-allyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 1566867
N-allyl-2-(2,3,5-trimethylphenoxy)acetamide
CID 2182758
2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419021
2-(2,6-dimethylphenoxy)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 44159555
2-(2,6-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 44159556
Sob-AM2
CID 134249304
2-(2,4-Dimethylphenoxy)-N-(2-(4-methoxyphenyl)ethyl)acetamide
CID 2872843

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide?
The IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide (CID 134249278) is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide?
The canonical SMILES for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide is Cc1cc(OCC(=O)NC2COC2)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-(oxetan-3-yl)acetamide?
The InChIKey is ZUQZNEPOQWPVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-14(2)20-9-17(5-6-22(20)25)10-21-15(3)7-19(8-16(21)4)28-13-23(26)24-18-11-27-12-18/h5-9,14,18,25H,10-13H2,1-4H3,(H,24,26).
What are the key properties of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide?
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(oxetan-3-yl)acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-(oxetan-3-yl)acetamide is sourced from PubChem (CID 134249278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).