2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide

C15H19NO2 — CID 133268115

IUPAC2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c(C)c1
InChIInChI=1S/C15H19NO2/c1-9-3-4-11(10(2)7-9)15(17)16-13-8-14-12(13)5-6-18-14/h3-4,7,12-14H,5-6,8H2,1-2H3,(H,16,17)/t12-,13+,14+/m0/s1
InChIKeyRFYNZAQFIWBPCK-BFHYXJOUSA-N
MW245.32 g/mol
LogP2.21
Rot. Bonds2

About 2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide

2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide (PubChem CID 133268115) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
PubChem CID133268115
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c(C)c1
InChIInChI=1S/C15H19NO2/c1-9-3-4-11(10(2)7-9)15(17)16-13-8-14-12(13)5-6-18-14/h3-4,7,12-14H,5-6,8H2,1-2H3,(H,16,17)/t12-,13+,14+/m0/s1
InChIKeyRFYNZAQFIWBPCK-BFHYXJOUSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133267562
2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 133266448
3,5,7-trimethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indole-2-carboxamide
CID 91790857
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
CID 91789422
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide
CID 91769351
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
CID 91763879
4-(hydroxymethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide
CID 91791984
6-methoxy-3-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-2-carboxamide
CID 133266869

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide (CID 133268115) is 2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide is Cc1ccc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide?
The InChIKey is RFYNZAQFIWBPCK-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9-3-4-11(10(2)7-9)15(17)16-13-8-14-12(13)5-6-18-14/h3-4,7,12-14H,5-6,8H2,1-2H3,(H,16,17)/t12-,13+,14+/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide?
2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide has a molecular weight of 245.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide is sourced from PubChem (CID 133268115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).