2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide

C21H27NO5 — CID 90498249

IUPAC2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCC(C)(O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27NO5/c1-4-26-18-9-11-19(12-10-18)27-14-20(23)22-15-21(2,24)13-16-5-7-17(25-3)8-6-16/h5-12,24H,4,13-15H2,1-3H3,(H,22,23)
InChIKeyMSAJPYBOWKMBJR-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.58
Rot. Bonds10

About 2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide

2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide (PubChem CID 90498249) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
PubChem CID90498249
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCC(C)(O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27NO5/c1-4-26-18-9-11-19(12-10-18)27-14-20(23)22-15-21(2,24)13-16-5-7-17(25-3)8-6-16/h5-12,24H,4,13-15H2,1-3H3,(H,22,23)
InChIKeyMSAJPYBOWKMBJR-UHFFFAOYSA-N
XLogP2.58
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
3-hydroxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 66001139
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100700105
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
CID 90499308
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 66001117

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide (CID 90498249) is 2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide is CCOc1ccc(OCC(=O)NCC(C)(O)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The InChIKey is MSAJPYBOWKMBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-4-26-18-9-11-19(12-10-18)27-14-20(23)22-15-21(2,24)13-16-5-7-17(25-3)8-6-16/h5-12,24H,4,13-15H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide?
2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide has a molecular weight of 373.45 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 90498249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).