N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide

C23H28N2O2 — CID 10428881

IUPACN-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC[C@]3(C)c4cc(O)ccc4C[C@H]2[C@H]3C)cc1
InChIInChI=1S/C23H28N2O2/c1-15-22-12-18-6-9-20(27)13-21(18)23(15,3)10-11-25(22)14-17-4-7-19(8-5-17)24-16(2)26/h4-9,13,15,22,27H,10-12,14H2,1-3H3,(H,24,26)/t15-,22+,23+/m1/s1
InChIKeyJWXPPVJRCLFJOJ-QABPDZFRSA-N
MW364.49 g/mol
LogP4.07
Rot. Bonds3

About N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide

N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide (PubChem CID 10428881) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide
PubChem CID10428881
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC[C@]3(C)c4cc(O)ccc4C[C@H]2[C@H]3C)cc1
InChIInChI=1S/C23H28N2O2/c1-15-22-12-18-6-9-20(27)13-21(18)23(15,3)10-11-25(22)14-17-4-7-19(8-5-17)24-16(2)26/h4-9,13,15,22,27H,10-12,14H2,1-3H3,(H,24,26)/t15-,22+,23+/m1/s1
InChIKeyJWXPPVJRCLFJOJ-QABPDZFRSA-N
XLogP4.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide 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 N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide (CID 10428881) is N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CC[C@]3(C)c4cc(O)ccc4C[C@H]2[C@H]3C)cc1.
What is the InChIKey of N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide?
The InChIKey is JWXPPVJRCLFJOJ-QABPDZFRSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15-22-12-18-6-9-20(27)13-21(18)23(15,3)10-11-25(22)14-17-4-7-19(8-5-17)24-16(2)26/h4-9,13,15,22,27H,10-12,14H2,1-3H3,(H,24,26)/t15-,22+,23+/m1/s1.
What are the key properties of N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide?
N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S,9S,13S)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 10428881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).