2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide

C20H25NO3 — CID 113101131

IUPAC2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCOc2c(C)ccc(C)c2C)cc1
InChIInChI=1S/C20H25NO3/c1-14-5-9-18(10-6-14)24-13-19(22)21-11-12-23-20-16(3)8-7-15(2)17(20)4/h5-10H,11-13H2,1-4H3,(H,21,22)
InChIKeyBKNMAKCARLVGEK-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.49
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide

2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide (PubChem CID 113101131) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
PubChem CID113101131
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCOc2c(C)ccc(C)c2C)cc1
InChIInChI=1S/C20H25NO3/c1-14-5-9-18(10-6-14)24-13-19(22)21-11-12-23-20-16(3)8-7-15(2)17(20)4/h5-10H,11-13H2,1-4H3,(H,21,22)
InChIKeyBKNMAKCARLVGEK-UHFFFAOYSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 19175976
2-(2-methoxyphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101132
N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19174758
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101115
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174747
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide
CID 113101086
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide (CID 113101131) is 2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide is Cc1ccc(OCC(=O)NCCOc2c(C)ccc(C)c2C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
The InChIKey is BKNMAKCARLVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-5-9-18(10-6-14)24-13-19(22)21-11-12-23-20-16(3)8-7-15(2)17(20)4/h5-10H,11-13H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 113101131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).