2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide

C23H28N2O2 — CID 52943612

IUPAC2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide
SMILESC[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2
InChIInChI=1S/C23H28N2O2/c1-16-14-25(15-22(27)24(3)18-7-5-4-6-8-18)19-11-17-9-10-20(26)12-21(17)23(16,2)13-19/h4-10,12,16,19,26H,11,13-15H2,1-3H3/t16-,19+,23+/m0/s1
InChIKeyJTGRNPYKTUVLFU-XKDCRVNJSA-N
MW364.49 g/mol
LogP3.58
Rot. Bonds3

About 2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide

2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide (PubChem CID 52943612) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide
PubChem CID52943612
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide
SMILESC[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2
InChIInChI=1S/C23H28N2O2/c1-16-14-25(15-22(27)24(3)18-7-5-4-6-8-18)19-11-17-9-10-20(26)12-21(17)23(16,2)13-19/h4-10,12,16,19,26H,11,13-15H2,1-3H3/t16-,19+,23+/m0/s1
InChIKeyJTGRNPYKTUVLFU-XKDCRVNJSA-N
XLogP3.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide (CID 52943612) is 2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide is C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2.
What is the InChIKey of 2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide?
The InChIKey is JTGRNPYKTUVLFU-XKDCRVNJSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-14-25(15-22(27)24(3)18-7-5-4-6-8-18)19-11-17-9-10-20(26)12-21(17)23(16,2)13-19/h4-10,12,16,19,26H,11,13-15H2,1-3H3/t16-,19+,23+/m0/s1.
What are the key properties of 2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide?
2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide has a molecular weight of 364.49 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,9R,12R)-4-hydroxy-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 52943612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).