3-[(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-phenylpropanamide

C24H30N2O2 — CID 52947023

IUPAC3-[(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-phenylpropanamide
SMILESC[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2
InChIInChI=1S/C24H30N2O2/c1-17-16-26(12-11-23(28)25(3)19-7-5-4-6-8-19)20-13-18-9-10-21(27)14-22(18)24(17,2)15-20/h4-10,14,17,20,27H,11-13,15-16H2,1-3H3/t17-,20+,24+/m0/s1
InChIKeyHVRIGNNJMCAKCP-WPSZSDGUSA-N
MW378.52 g/mol
LogP3.97
Rot. Bonds4

About 3-[(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-phenylpropanamide

3-[(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-phenylpropanamide (PubChem CID 52947023) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[(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-phenylpropanamide.

Molecular Properties

Compound Name3-[(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-phenylpropanamide
PubChem CID52947023
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-[(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-phenylpropanamide
SMILESC[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2
InChIInChI=1S/C24H30N2O2/c1-17-16-26(12-11-23(28)25(3)19-7-5-4-6-8-19)20-13-18-9-10-21(27)14-22(18)24(17,2)15-20/h4-10,14,17,20,27H,11-13,15-16H2,1-3H3/t17-,20+,24+/m0/s1
InChIKeyHVRIGNNJMCAKCP-WPSZSDGUSA-N
XLogP3.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(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-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(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-phenylpropanamide?
The IUPAC name of 3-[(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-phenylpropanamide (CID 52947023) is 3-[(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-phenylpropanamide.
What is the SMILES notation for 3-[(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-phenylpropanamide?
The canonical SMILES for 3-[(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-phenylpropanamide is C[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2.
What is the InChIKey of 3-[(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-phenylpropanamide?
The InChIKey is HVRIGNNJMCAKCP-WPSZSDGUSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-16-26(12-11-23(28)25(3)19-7-5-4-6-8-19)20-13-18-9-10-21(27)14-22(18)24(17,2)15-20/h4-10,14,17,20,27H,11-13,15-16H2,1-3H3/t17-,20+,24+/m0/s1.
What are the key properties of 3-[(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-phenylpropanamide?
3-[(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-phenylpropanamide has a molecular weight of 378.52 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(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-phenylpropanamide is sourced from PubChem (CID 52947023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).