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

C19H23NO2 — CID 113101115

IUPAC2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(C)c(OCCNC(=O)Cc2ccccc2)c1C
InChIInChI=1S/C19H23NO2/c1-14-9-10-15(2)19(16(14)3)22-12-11-20-18(21)13-17-7-5-4-6-8-17/h4-10H,11-13H2,1-3H3,(H,20,21)
InChIKeySLKYYBGZEOZLMZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.35
Rot. Bonds6

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

2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide (PubChem CID 113101115) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
PubChem CID113101115
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(C)c(OCCNC(=O)Cc2ccccc2)c1C
InChIInChI=1S/C19H23NO2/c1-14-9-10-15(2)19(16(14)3)22-12-11-20-18(21)13-17-7-5-4-6-8-17/h4-10H,11-13H2,1-3H3,(H,20,21)
InChIKeySLKYYBGZEOZLMZ-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101145
2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide
CID 113101086
1-benzyl-1-propan-2-yl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974315
2-(2-methoxyphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101132
1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974328
1-[(2-methylphenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974267
N-benzyl-2-(2,3,6-trimethylphenoxy)ethanamine
CID 39368491
2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101131
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
4-methyl-2-[2-oxo-2-[2-(2,3,6-trimethylphenoxy)ethylamino]ethyl]-1,3-thiazole-5-carboxylate
CID 9155148
1-(2-phenylethyl)-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880131
4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101108

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide (CID 113101115) is 2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide is Cc1ccc(C)c(OCCNC(=O)Cc2ccccc2)c1C.
What is the InChIKey of 2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
The InChIKey is SLKYYBGZEOZLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-9-10-15(2)19(16(14)3)22-12-11-20-18(21)13-17-7-5-4-6-8-17/h4-10H,11-13H2,1-3H3,(H,20,21).
What are the key properties of 2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide?
2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 113101115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).