2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide

C15H23NO3S — CID 103767552

IUPAC2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCSCCCO
InChIInChI=1S/C15H23NO3S/c1-12-5-3-6-13(2)15(12)19-11-14(18)16-7-10-20-9-4-8-17/h3,5-6,17H,4,7-11H2,1-2H3,(H,16,18)
InChIKeyJWERHTPEMATHKI-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.91
Rot. Bonds9

About 2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide

2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide (PubChem CID 103767552) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
PubChem CID103767552
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCSCCCO
InChIInChI=1S/C15H23NO3S/c1-12-5-3-6-13(2)15(12)19-11-14(18)16-7-10-20-9-4-8-17/h3,5-6,17H,4,7-11H2,1-2H3,(H,16,18)
InChIKeyJWERHTPEMATHKI-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(3-nitrophenoxy)acetamide
CID 103767321
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(3-methylphenyl)propanamide
CID 103800925
1-(2,3-dimethylphenyl)-3-[2-(3-hydroxypropylsulfanyl)ethyl]urea
CID 111105028
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide
CID 103801086
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide
CID 103767427
2-[2-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241879

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide (CID 103767552) is 2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide is Cc1cccc(C)c1OCC(=O)NCCSCCCO.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The InChIKey is JWERHTPEMATHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-5-3-6-13(2)15(12)19-11-14(18)16-7-10-20-9-4-8-17/h3,5-6,17H,4,7-11H2,1-2H3,(H,16,18).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 103767552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).