(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide

C19H23NO2 — CID 94011869

IUPAC(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C19H23NO2/c1-5-16-8-6-7-9-18(16)22-15(4)19(21)20-17-12-13(2)10-11-14(17)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyAIXPTDHYKCYTET-HNNXBMFYSA-N
MW297.40 g/mol
LogP4.27
Rot. Bonds5

About (2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide

(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide (PubChem CID 94011869) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
PubChem CID94011869
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C19H23NO2/c1-5-16-8-6-7-9-18(16)22-15(4)19(21)20-17-12-13(2)10-11-14(17)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyAIXPTDHYKCYTET-HNNXBMFYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 4931956
ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate
CID 92646434
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide
CID 133239783
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 16793258
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 92674551

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide (CID 94011869) is (2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of (2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide?
The InChIKey is AIXPTDHYKCYTET-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-16-8-6-7-9-18(16)22-15(4)19(21)20-17-12-13(2)10-11-14(17)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide?
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide has a molecular weight of 297.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 94011869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).