N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide

C18H21NO3 — CID 19173987

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
SMILESCc1cc(C)cc(OCCNC(=O)COc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-14-10-15(2)12-17(11-14)21-9-8-19-18(20)13-22-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,19,20)
InChIKeyPRSZVQSKJZMLAM-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide (PubChem CID 19173987) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
PubChem CID19173987
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
SMILESCc1cc(C)cc(OCCNC(=O)COc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-14-10-15(2)12-17(11-14)21-9-8-19-18(20)13-22-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,19,20)
InChIKeyPRSZVQSKJZMLAM-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.88
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-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101233
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 52743823
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide
CID 60525006
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390
2-(4-chloro-2-methylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174022

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide (CID 19173987) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide is Cc1cc(C)cc(OCCNC(=O)COc2ccccc2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide?
The InChIKey is PRSZVQSKJZMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-10-15(2)12-17(11-14)21-9-8-19-18(20)13-22-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 19173987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).