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

C16H25NO2 — CID 92684665

IUPAC(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1CC
InChIInChI=1S/C16H25NO2/c1-5-9-12(3)17-16(18)13(4)19-15-11-8-7-10-14(15)6-2/h7-8,10-13H,5-6,9H2,1-4H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyOTDNNSNHMZGYKR-QWHCGFSZSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds7

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

(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide (PubChem CID 92684665) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
PubChem CID92684665
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1CC
InChIInChI=1S/C16H25NO2/c1-5-9-12(3)17-16(18)13(4)19-15-11-8-7-10-14(15)6-2/h7-8,10-13H,5-6,9H2,1-4H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyOTDNNSNHMZGYKR-QWHCGFSZSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43277213
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
CID 43115628
(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100568779
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)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-methyl-3-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 82810097
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide?
The IUPAC name of (2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide (CID 92684665) is (2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide is CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1CC.
What is the InChIKey of (2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide?
The InChIKey is OTDNNSNHMZGYKR-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-9-12(3)17-16(18)13(4)19-15-11-8-7-10-14(15)6-2/h7-8,10-13H,5-6,9H2,1-4H3,(H,17,18)/t12-,13+/m0/s1.
What are the key properties of (2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide?
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.32, 7 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)-pentan-2-yl]propanamide is sourced from PubChem (CID 92684665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).