(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide

C16H25NO2 — CID 100569830

IUPAC(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)N[C@@H](C)C(C)C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-10(2)13(5)17-16(18)14(6)19-15-8-7-11(3)9-12(15)4/h7-10,13-14H,1-6H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyICCZBUZUQNSWQQ-KBPBESRZSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds5

About (2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide

(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide (PubChem CID 100569830) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
PubChem CID100569830
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)N[C@@H](C)C(C)C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-10(2)13(5)17-16(18)14(6)19-15-8-7-11(3)9-12(15)4/h7-10,13-14H,1-6H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyICCZBUZUQNSWQQ-KBPBESRZSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133231101
(2S)-2-(2,4-dimethylphenoxy)propanoyl chloride
CID 51663759
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide
CID 18724643
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide (CID 100569830) is (2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide is Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)C(C)C)c(C)c1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide?
The InChIKey is ICCZBUZUQNSWQQ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(2)13(5)17-16(18)14(6)19-15-8-7-11(3)9-12(15)4/h7-10,13-14H,1-6H3,(H,17,18)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide?
(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 100569830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).