(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide

C15H23NO2 — CID 9173478

IUPAC(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-6-12(4)16-15(17)13(5)18-14-8-7-10(2)9-11(14)3/h7-9,12-13H,6H2,1-5H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyVQVXETFYVURVLR-STQMWFEESA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds5

About (2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide

(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 9173478) 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-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
PubChem CID9173478
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-6-12(4)16-15(17)13(5)18-14-8-7-10(2)9-11(14)3/h7-9,12-13H,6H2,1-5H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyVQVXETFYVURVLR-STQMWFEESA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
CID 78936570
(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569830
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
2-(2,4-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133178453
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 99132320
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide
CID 18724643
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide (CID 9173478) is (2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide is CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1C.
What is the InChIKey of (2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is VQVXETFYVURVLR-STQMWFEESA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-12(4)16-15(17)13(5)18-14-8-7-10(2)9-11(14)3/h7-9,12-13H,6H2,1-5H3,(H,16,17)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide?
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.99, 5 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-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 9173478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).