N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide

C14H21NO2 — CID 728123

IUPACN-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCC[C@@H](C)NC(=O)COc1cccc(C)c1C
InChIInChI=1S/C14H21NO2/c1-5-11(3)15-14(16)9-17-13-8-6-7-10(2)12(13)4/h6-8,11H,5,9H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyATDUXDPQGKIMNI-LLVKDONJSA-N
MW235.33 g/mol
LogP2.60
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide

N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 728123) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID728123
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCC[C@@H](C)NC(=O)COc1cccc(C)c1C
InChIInChI=1S/C14H21NO2/c1-5-11(3)15-14(16)9-17-13-8-6-7-10(2)12(13)4/h6-8,11H,5,9H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyATDUXDPQGKIMNI-LLVKDONJSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide
CID 142517104
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid
CID 82845745
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoate
CID 9156871
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982140
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068
(2S,3R)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964954
2-(2,3-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326921
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide (CID 728123) is N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide is CC[C@@H](C)NC(=O)COc1cccc(C)c1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is ATDUXDPQGKIMNI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11(3)15-14(16)9-17-13-8-6-7-10(2)12(13)4/h6-8,11H,5,9H2,1-4H3,(H,15,16)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide?
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 728123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).