N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide

C15H24N4O2 — CID 91787263

IUPACN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)c1C
InChIInChI=1S/C15H24N4O2/c1-9-10(2)19(8-16-9)7-12(20)17-13-11-5-6-21-15(11)14(13)18(3)4/h8,11,13-15H,5-7H2,1-4H3,(H,17,20)/t11-,13+,14-,15-/m1/s1
InChIKeyUPMJQANPRGUPMH-FAAHXZRKSA-N
MW292.38 g/mol
LogP0.33
Rot. Bonds4

About N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide

N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide (PubChem CID 91787263) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide
PubChem CID91787263
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)c1C
InChIInChI=1S/C15H24N4O2/c1-9-10(2)19(8-16-9)7-12(20)17-13-11-5-6-21-15(11)14(13)18(3)4/h8,11,13-15H,5-7H2,1-4H3,(H,17,20)/t11-,13+,14-,15-/m1/s1
InChIKeyUPMJQANPRGUPMH-FAAHXZRKSA-N
XLogP0.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide (CID 91787263) is N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide is Cc1ncn(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)c1C.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
The InChIKey is UPMJQANPRGUPMH-FAAHXZRKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9-10(2)19(8-16-9)7-12(20)17-13-11-5-6-21-15(11)14(13)18(3)4/h8,11,13-15H,5-7H2,1-4H3,(H,17,20)/t11-,13+,14-,15-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide?
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(4,5-dimethylimidazol-1-yl)acetamide is sourced from PubChem (CID 91787263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).