(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide

C15H23NO2 — CID 9181944

IUPAC(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)NCC(C)C)c1
InChIInChI=1S/C15H23NO2/c1-10(2)9-16-15(17)13(5)18-14-7-11(3)6-12(4)8-14/h6-8,10,13H,9H2,1-5H3,(H,16,17)/t13-/m0/s1
InChIKeyUXWGLKZZKIBLBW-ZDUSSCGKSA-N
MW249.35 g/mol
LogP2.84
Rot. Bonds5

About (2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide

(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 9181944) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
PubChem CID9181944
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)NCC(C)C)c1
InChIInChI=1S/C15H23NO2/c1-10(2)9-16-15(17)13(5)18-14-7-11(3)6-12(4)8-14/h6-8,10,13H,9H2,1-5H3,(H,16,17)/t13-/m0/s1
InChIKeyUXWGLKZZKIBLBW-ZDUSSCGKSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide
CID 133211059
(2R)-2-(3,5-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569884
2-(4-ethylphenoxy)-N-(2-methylpropyl)propanamide
CID 60675159
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide
CID 19168532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide (CID 9181944) is (2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide is Cc1cc(C)cc(O[C@@H](C)C(=O)NCC(C)C)c1.
What is the InChIKey of (2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is UXWGLKZZKIBLBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)9-16-15(17)13(5)18-14-7-11(3)6-12(4)8-14/h6-8,10,13H,9H2,1-5H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide?
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 9181944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).