2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

C19H23NO2 — CID 30402629

IUPAC2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2)cc1C
InChIInChI=1S/C19H23NO2/c1-13-10-15(3)18(11-14(13)2)16(4)20-19(21)12-22-17-8-6-5-7-9-17/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m1/s1
InChIKeyZNMXQYQPNNPXGV-MRXNPFEDSA-N
MW297.40 g/mol
LogP3.87
Rot. Bonds5

About 2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 30402629) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID30402629
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2)cc1C
InChIInChI=1S/C19H23NO2/c1-13-10-15(3)18(11-14(13)2)16(4)20-19(21)12-22-17-8-6-5-7-9-17/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m1/s1
InChIKeyZNMXQYQPNNPXGV-MRXNPFEDSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401789
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401871
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906341
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401837
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906315
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906383
N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide
CID 43297835
2-[4-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402019
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 32564607
2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906817

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 30402629) is 2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2)cc1C.
What is the InChIKey of 2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is ZNMXQYQPNNPXGV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-10-15(3)18(11-14(13)2)16(4)20-19(21)12-22-17-8-6-5-7-9-17/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 30402629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).