(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide

C15H23NO2 — CID 94665564

IUPAC(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)N[C@@H](C)C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)12(4)16-15(17)13(5)18-14-8-6-11(3)7-9-14/h6-10,12-13H,1-5H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyMMPBLLSLWDBPHS-QWHCGFSZSA-N
MW249.35 g/mol
LogP2.92
Rot. Bonds5

About (2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide

(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide (PubChem CID 94665564) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
PubChem CID94665564
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)N[C@@H](C)C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)12(4)16-15(17)13(5)18-14-8-6-11(3)7-9-14/h6-10,12-13H,1-5H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyMMPBLLSLWDBPHS-QWHCGFSZSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921
(2R)-2-(3,5-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569884
N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 43419032
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569830
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
2-[2-(4-methylphenoxy)propanoylamino]butanoic acid
CID 43387334
2-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568542
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide (CID 94665564) is (2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)C(C)C)cc1.
What is the InChIKey of (2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide?
The InChIKey is MMPBLLSLWDBPHS-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)12(4)16-15(17)13(5)18-14-8-6-11(3)7-9-14/h6-10,12-13H,1-5H3,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of (2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide?
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 94665564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).