2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide

C19H23NO3 — CID 113101233

IUPAC2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
SMILESCc1cc(C)c(OCCNC(=O)COc2ccccc2)cc1C
InChIInChI=1S/C19H23NO3/c1-14-11-16(3)18(12-15(14)2)22-10-9-20-19(21)13-23-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21)
InChIKeyZNABCFRTGUVASE-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.19
Rot. Bonds7

About 2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide

2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide (PubChem CID 113101233) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
PubChem CID113101233
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
SMILESCc1cc(C)c(OCCNC(=O)COc2ccccc2)cc1C
InChIInChI=1S/C19H23NO3/c1-14-11-16(3)18(12-15(14)2)22-10-9-20-19(21)13-23-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21)
InChIKeyZNABCFRTGUVASE-UHFFFAOYSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.19
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

N-[2-(4-methoxyphenoxy)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978061
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 26903383
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974458
phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572636
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101258
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8535763
methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
CID 113101254

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide (CID 113101233) is 2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide is Cc1cc(C)c(OCCNC(=O)COc2ccccc2)cc1C.
What is the InChIKey of 2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide?
The InChIKey is ZNABCFRTGUVASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-11-16(3)18(12-15(14)2)22-10-9-20-19(21)13-23-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21).
What are the key properties of 2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide?
2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 113101233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).