N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide

C18H21NO3 — CID 94843850

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C18H21NO3/c1-13-6-4-5-7-17(13)22-12-18(20)19-14(2)15-8-10-16(21-3)11-9-15/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyIRJIDBWGDOAZJB-AWEZNQCLSA-N
MW299.37 g/mol
LogP3.26
Rot. Bonds6

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 94843850) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
PubChem CID94843850
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C18H21NO3/c1-13-6-4-5-7-17(13)22-12-18(20)19-14(2)15-8-10-16(21-3)11-9-15/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyIRJIDBWGDOAZJB-AWEZNQCLSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567361
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567363
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
N-[1-(4-methoxyphenyl)ethyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 43873615
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
2-(4-bromo-3,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 132763195
2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068
N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide (CID 94843850) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide is COc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is IRJIDBWGDOAZJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-6-4-5-7-17(13)22-12-18(20)19-14(2)15-8-10-16(21-3)11-9-15/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 94843850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).