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

C22H26N2O2 — CID 91774555

IUPACN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide
SMILESCN(C)[C@@H]1[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)[C@H]2CCO[C@H]21
InChIInChI=1S/C22H26N2O2/c1-24(2)20-19(17-13-14-26-21(17)20)23-22(25)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-21H,13-14H2,1-2H3,(H,23,25)/t17-,19+,20-,21-/m1/s1
InChIKeyACWGHBXIAKODES-GFOJFJKKSA-N
MW350.46 g/mol
LogP2.65
Rot. Bonds5

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

N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide (PubChem CID 91774555) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide
PubChem CID91774555
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide
SMILESCN(C)[C@@H]1[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)[C@H]2CCO[C@H]21
InChIInChI=1S/C22H26N2O2/c1-24(2)20-19(17-13-14-26-21(17)20)23-22(25)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-21H,13-14H2,1-2H3,(H,23,25)/t17-,19+,20-,21-/m1/s1
InChIKeyACWGHBXIAKODES-GFOJFJKKSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]-2,2-diphenylacetamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide (CID 91774555) is N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide is CN(C)[C@@H]1[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide?
The InChIKey is ACWGHBXIAKODES-GFOJFJKKSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-24(2)20-19(17-13-14-26-21(17)20)23-22(25)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-21H,13-14H2,1-2H3,(H,23,25)/t17-,19+,20-,21-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide?
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,2-diphenylacetamide has a molecular weight of 350.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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]-2,2-diphenylacetamide is sourced from PubChem (CID 91774555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).