2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C15H23NO3S — CID 90522997

IUPAC2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCCOc1ccc(CC(=O)NCC(C)(O)CSC)cc1
InChIInChI=1S/C15H23NO3S/c1-4-19-13-7-5-12(6-8-13)9-14(17)16-10-15(2,18)11-20-3/h5-8,18H,4,9-11H2,1-3H3,(H,16,17)
InChIKeyDLJIJLVOMLIMPU-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.86
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 90522997) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID90522997
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCCOc1ccc(CC(=O)NCC(C)(O)CSC)cc1
InChIInChI=1S/C15H23NO3S/c1-4-19-13-7-5-12(6-8-13)9-14(17)16-10-15(2,18)11-20-3/h5-8,18H,4,9-11H2,1-3H3,(H,16,17)
InChIKeyDLJIJLVOMLIMPU-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984115
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide
CID 104857620
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498249
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
CID 71787198
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 66170023
(2R)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 122560884
N-but-3-enyl-2-(4-ethoxyphenyl)acetamide
CID 113466030
2-[[2-(4-ethoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261354
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 90522997) is 2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CCOc1ccc(CC(=O)NCC(C)(O)CSC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is DLJIJLVOMLIMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-19-13-7-5-12(6-8-13)9-14(17)16-10-15(2,18)11-20-3/h5-8,18H,4,9-11H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 297.42 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 90522997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).