(2S)-2-(2-ethylphenoxy)-N-methylpropanamide

C12H17NO2 — CID 28577058

IUPAC(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)NC
InChIInChI=1S/C12H17NO2/c1-4-10-7-5-6-8-11(10)15-9(2)12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyOSYHDEUTNNJWOW-VIFPVBQESA-N
MW207.27 g/mol
LogP1.76
Rot. Bonds4

About (2S)-2-(2-ethylphenoxy)-N-methylpropanamide

(2S)-2-(2-ethylphenoxy)-N-methylpropanamide (PubChem CID 28577058) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
PubChem CID28577058
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)NC
InChIInChI=1S/C12H17NO2/c1-4-10-7-5-6-8-11(10)15-9(2)12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyOSYHDEUTNNJWOW-VIFPVBQESA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100568779
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
CID 53285104
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
CID 99131605
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 99131609
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-methylpropanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-methylpropanamide (CID 28577058) is (2S)-2-(2-ethylphenoxy)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-methylpropanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-methylpropanamide is CCc1ccccc1O[C@@H](C)C(=O)NC.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-methylpropanamide?
The InChIKey is OSYHDEUTNNJWOW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-10-7-5-6-8-11(10)15-9(2)12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-methylpropanamide?
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide has a molecular weight of 207.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 28577058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).