(3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide

C24H32N2O — CID 142520085

IUPAC(3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide
SMILESC[C@@]12CC3CC(C(=O)NC4CC5CNC4C5)(C1)C[C@](c1ccccc1)(C3)C2
InChIInChI=1S/C24H32N2O/c1-22-9-17-10-23(13-22,18-5-3-2-4-6-18)15-24(11-17,14-22)21(27)26-20-8-16-7-19(20)25-12-16/h2-6,16-17,19-20,25H,7-15H2,1H3,(H,26,27)/t16?,17?,19?,20?,22-,23-,24?/m0/s1
InChIKeyKXHULLKYXXFNEV-QPRTUAORSA-N
MW364.53 g/mol
LogP3.78
Rot. Bonds3

About (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide

(3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide (PubChem CID 142520085) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide
PubChem CID142520085
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name(3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide
SMILESC[C@@]12CC3CC(C(=O)NC4CC5CNC4C5)(C1)C[C@](c1ccccc1)(C3)C2
InChIInChI=1S/C24H32N2O/c1-22-9-17-10-23(13-22,18-5-3-2-4-6-18)15-24(11-17,14-22)21(27)26-20-8-16-7-19(20)25-12-16/h2-6,16-17,19-20,25H,7-15H2,1H3,(H,26,27)/t16?,17?,19?,20?,22-,23-,24?/m0/s1
InChIKeyKXHULLKYXXFNEV-QPRTUAORSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide 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 (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide?
The IUPAC name of (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide (CID 142520085) is (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide.
What is the SMILES notation for (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide?
The canonical SMILES for (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide is C[C@@]12CC3CC(C(=O)NC4CC5CNC4C5)(C1)C[C@](c1ccccc1)(C3)C2.
What is the InChIKey of (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide?
The InChIKey is KXHULLKYXXFNEV-QPRTUAORSA-N. The full InChI is InChI=1S/C24H32N2O/c1-22-9-17-10-23(13-22,18-5-3-2-4-6-18)15-24(11-17,14-22)21(27)26-20-8-16-7-19(20)25-12-16/h2-6,16-17,19-20,25H,7-15H2,1H3,(H,26,27)/t16?,17?,19?,20?,22-,23-,24?/m0/s1.
What are the key properties of (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide?
(3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide is sourced from PubChem (CID 142520085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).