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

C18H21NO2 — CID 94012505

IUPAC2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C18H21NO2/c1-13-8-10-16(11-9-13)15(3)19-18(20)12-21-17-7-5-4-6-14(17)2/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyDDLXFQZBVMLXSD-HNNXBMFYSA-N
MW283.37 g/mol
LogP3.56
Rot. Bonds5

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

2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 94012505) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID94012505
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C18H21NO2/c1-13-8-10-16(11-9-13)15(3)19-18(20)12-21-17-7-5-4-6-14(17)2/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyDDLXFQZBVMLXSD-HNNXBMFYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17327092
2-(2,3-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326921
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 94012505) is 2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is DDLXFQZBVMLXSD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-10-16(11-9-13)15(3)19-18(20)12-21-17-7-5-4-6-14(17)2/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m0/s1.
What are the key properties of 2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 94012505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).