2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C16H21NO2 — CID 133267562

IUPAC2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1
InChIInChI=1S/C16H21NO2/c1-10-3-4-11(2)12(7-10)8-16(18)17-14-9-15-13(14)5-6-19-15/h3-4,7,13-15H,5-6,8-9H2,1-2H3,(H,17,18)/t13-,14+,15+/m0/s1
InChIKeyGBIBRGPTHBHQGT-RRFJBIMHSA-N
MW259.35 g/mol
LogP2.14
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 133267562) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID133267562
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1
InChIInChI=1S/C16H21NO2/c1-10-3-4-11(2)12(7-10)8-16(18)17-14-9-15-13(14)5-6-19-15/h3-4,7,13-15H,5-6,8-9H2,1-2H3,(H,17,18)/t13-,14+,15+/m0/s1
InChIKeyGBIBRGPTHBHQGT-RRFJBIMHSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 133268115
2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 155915771
2-(4-chlorophenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268040
2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792975
2-naphthalen-2-yl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268711
2-(4-methyl-N-methylsulfonylanilino)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133266803
2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133264711
2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133265530
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798521
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 133267562) is 2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is Cc1ccc(C)c(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is GBIBRGPTHBHQGT-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-3-4-11(2)12(7-10)8-16(18)17-14-9-15-13(14)5-6-19-15/h3-4,7,13-15H,5-6,8-9H2,1-2H3,(H,17,18)/t13-,14+,15+/m0/s1.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 133267562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).