N-ethyl-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-phenylacetamide

C24H30N2O2 — CID 52947719

IUPACN-ethyl-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-phenylacetamide
SMILESCCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc12)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-4-26(19-8-6-5-7-9-19)23(28)16-25-15-17(2)24(3)14-20(25)12-18-10-11-21(27)13-22(18)24/h5-11,13,17,20,27H,4,12,14-16H2,1-3H3/t17-,20+,24+/m0/s1
InChIKeyOQTGVOPTUXMAMC-WPSZSDGUSA-N
MW378.52 g/mol
LogP3.97
Rot. Bonds4

About N-ethyl-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-phenylacetamide

N-ethyl-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-phenylacetamide (PubChem CID 52947719) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-ethyl-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-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-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-phenylacetamide
PubChem CID52947719
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-ethyl-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-phenylacetamide
SMILESCCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc12)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-4-26(19-8-6-5-7-9-19)23(28)16-25-15-17(2)24(3)14-20(25)12-18-10-11-21(27)13-22(18)24/h5-11,13,17,20,27H,4,12,14-16H2,1-3H3/t17-,20+,24+/m0/s1
InChIKeyOQTGVOPTUXMAMC-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 N-ethyl-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-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-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-phenylacetamide?
The IUPAC name of N-ethyl-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-phenylacetamide (CID 52947719) is N-ethyl-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-phenylacetamide.
What is the SMILES notation for N-ethyl-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-phenylacetamide?
The canonical SMILES for N-ethyl-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-phenylacetamide is CCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc12)c1ccccc1.
What is the InChIKey of N-ethyl-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-phenylacetamide?
The InChIKey is OQTGVOPTUXMAMC-WPSZSDGUSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-4-26(19-8-6-5-7-9-19)23(28)16-25-15-17(2)24(3)14-20(25)12-18-10-11-21(27)13-22(18)24/h5-11,13,17,20,27H,4,12,14-16H2,1-3H3/t17-,20+,24+/m0/s1.
What are the key properties of N-ethyl-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-phenylacetamide?
N-ethyl-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-phenylacetamide 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 N-ethyl-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-phenylacetamide is sourced from PubChem (CID 52947719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).