(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide

C19H23NO3 — CID 40872944

IUPAC(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide
SMILESCCOc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H23NO3/c1-5-22-16-11-6-7-12-17(16)23-15(4)19(21)20-18-13(2)9-8-10-14(18)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyYBCJBQPJJBRDJX-HNNXBMFYSA-N
MW313.40 g/mol
LogP4.11
Rot. Bonds6

About (2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide

(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide (PubChem CID 40872944) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide
PubChem CID40872944
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide
SMILESCCOc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H23NO3/c1-5-22-16-11-6-7-12-17(16)23-15(4)19(21)20-18-13(2)9-8-10-14(18)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyYBCJBQPJJBRDJX-HNNXBMFYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 92674551
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7729333
2-(2-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511443
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 8576307
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
(2S)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840848
(2R)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840850
2-(2,3-dimethylphenoxy)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43885247

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide (CID 40872944) is (2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide is CCOc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of (2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide?
The InChIKey is YBCJBQPJJBRDJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-22-16-11-6-7-12-17(16)23-15(4)19(21)20-18-13(2)9-8-10-14(18)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide?
(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide has a molecular weight of 313.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide is sourced from PubChem (CID 40872944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).