(2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide

C18H21NO2 — CID 95990665

IUPAC(2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide
SMILESCc1ccc(O[C@@H](C)C(=O)N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-13-10-11-17(14(2)12-13)21-15(3)18(20)19(4)16-8-6-5-7-9-16/h5-12,15H,1-4H3/t15-/m0/s1
InChIKeyWNFJCZMSYNJIGK-HNNXBMFYSA-N
MW283.37 g/mol
LogP3.73
Rot. Bonds4

About (2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide

(2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide (PubChem CID 95990665) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide
PubChem CID95990665
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide
SMILESCc1ccc(O[C@@H](C)C(=O)N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-13-10-11-17(14(2)12-13)21-15(3)18(20)19(4)16-8-6-5-7-9-16/h5-12,15H,1-4H3/t15-/m0/s1
InChIKeyWNFJCZMSYNJIGK-HNNXBMFYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
CID 94840107
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 2519746
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
(2S)-2-(2,4-dimethylphenoxy)propanoyl chloride
CID 51663759
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 6915166
2-(7-methoxynaphthalen-2-yl)oxy-N-methyl-N-phenylpropanamide
CID 42899705
(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 7568794
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
[1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate
CID 55466850
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55375293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide (CID 95990665) is (2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide is Cc1ccc(O[C@@H](C)C(=O)N(C)c2ccccc2)c(C)c1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide?
The InChIKey is WNFJCZMSYNJIGK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-10-11-17(14(2)12-13)21-15(3)18(20)19(4)16-8-6-5-7-9-16/h5-12,15H,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide?
(2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide has a molecular weight of 283.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 95990665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).