(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide

C16H25NO2 — CID 100568779

IUPAC(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
SMILESCCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C16H25NO2/c1-6-14-9-7-8-10-15(14)19-13(5)16(18)17-12(4)11(2)3/h7-13H,6H2,1-5H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyPQTGIHDXTHEZFU-QWHCGFSZSA-N
MW263.38 g/mol
LogP3.18
Rot. Bonds6

About (2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide

(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide (PubChem CID 100568779) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
PubChem CID100568779
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
SMILESCCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C16H25NO2/c1-6-14-9-7-8-10-15(14)19-13(5)16(18)17-12(4)11(2)3/h7-13H,6H2,1-5H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyPQTGIHDXTHEZFU-QWHCGFSZSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
CID 30397880
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide (CID 100568779) is (2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide is CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)C(C)C.
What is the InChIKey of (2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide?
The InChIKey is PQTGIHDXTHEZFU-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-14-9-7-8-10-15(14)19-13(5)16(18)17-12(4)11(2)3/h7-13H,6H2,1-5H3,(H,17,18)/t12-,13+/m0/s1.
What are the key properties of (2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide?
(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 100568779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).