N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide

C25H32N2O2 — CID 67183336

IUPACN-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1)[C@H](C)CN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2
InChIInChI=1S/C25H32N2O2/c1-18(26(19(2)28)17-20-7-4-3-5-8-20)16-27-23-11-12-24(27)14-22(13-23)21-9-6-10-25(29)15-21/h3-10,15,18,22-24,29H,11-14,16-17H2,1-2H3/t18-,22?,23-,24+/m1/s1
InChIKeyZZHFMYNSZIEWOO-AIRYKSJBSA-N
MW392.54 g/mol
LogP4.54
Rot. Bonds6

About N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide

N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide (PubChem CID 67183336) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide
PubChem CID67183336
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1)[C@H](C)CN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2
InChIInChI=1S/C25H32N2O2/c1-18(26(19(2)28)17-20-7-4-3-5-8-20)16-27-23-11-12-24(27)14-22(13-23)21-9-6-10-25(29)15-21/h3-10,15,18,22-24,29H,11-14,16-17H2,1-2H3/t18-,22?,23-,24+/m1/s1
InChIKeyZZHFMYNSZIEWOO-AIRYKSJBSA-N
XLogP4.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]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-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide?
The IUPAC name of N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide (CID 67183336) is N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide?
The canonical SMILES for N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide is CC(=O)N(Cc1ccccc1)[C@H](C)CN1[C@@H]2CC[C@H]1CC(c1cccc(O)c1)C2.
What is the InChIKey of N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide?
The InChIKey is ZZHFMYNSZIEWOO-AIRYKSJBSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18(26(19(2)28)17-20-7-4-3-5-8-20)16-27-23-11-12-24(27)14-22(13-23)21-9-6-10-25(29)15-21/h3-10,15,18,22-24,29H,11-14,16-17H2,1-2H3/t18-,22?,23-,24+/m1/s1.
What are the key properties of N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide?
N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide has a molecular weight of 392.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R)-1-[(1S,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]acetamide is sourced from PubChem (CID 67183336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).