(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide

C15H23NO2 — CID 92676181

IUPAC(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)CC
InChIInChI=1S/C15H23NO2/c1-5-11(3)16-15(17)12(4)18-14-10-8-7-9-13(14)6-2/h7-12H,5-6H2,1-4H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyLDSJFHDLKIJSMH-RYUDHWBXSA-N
MW249.35 g/mol
LogP2.93
Rot. Bonds6

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

(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide (PubChem CID 92676181) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
PubChem CID92676181
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)CC
InChIInChI=1S/C15H23NO2/c1-5-11(3)16-15(17)12(4)18-14-10-8-7-9-13(14)6-2/h7-12H,5-6H2,1-4H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyLDSJFHDLKIJSMH-RYUDHWBXSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
(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
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide
CID 43381867

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide (CID 92676181) is (2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide is CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)CC.
What is the InChIKey of (2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide?
The InChIKey is LDSJFHDLKIJSMH-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-11(3)16-15(17)12(4)18-14-10-8-7-9-13(14)6-2/h7-12H,5-6H2,1-4H3,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of (2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide?
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 92676181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).