N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide

C23H30N2O — CID 130269738

IUPACN-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
SMILESCC12CC3CC(C(=O)NC4CC5(CNC5)C4)(C1)CC3(c1ccccc1)C2
InChIInChI=1S/C23H30N2O/c1-20-7-17-8-22(11-20,13-23(17,12-20)16-5-3-2-4-6-16)19(26)25-18-9-21(10-18)14-24-15-21/h2-6,17-18,24H,7-15H2,1H3,(H,25,26)
InChIKeyCEVDBSMCDFETPP-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.39
Rot. Bonds3

About N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide

N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide (PubChem CID 130269738) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide.

Molecular Properties

Compound NameN-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
PubChem CID130269738
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
SMILESCC12CC3CC(C(=O)NC4CC5(CNC5)C4)(C1)CC3(c1ccccc1)C2
InChIInChI=1S/C23H30N2O/c1-20-7-17-8-22(11-20,13-23(17,12-20)16-5-3-2-4-6-16)19(26)25-18-9-21(10-18)14-24-15-21/h2-6,17-18,24H,7-15H2,1H3,(H,25,26)
InChIKeyCEVDBSMCDFETPP-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-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

Related Compounds

(3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide
CID 166908966
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137436163
5-ethyl-N-[(3R,4R)-3-fluoropiperidin-4-yl]-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide
CID 166908354
N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide
CID 130269312
(3R,5R)-N-(6-aminospiro[3.3]heptan-2-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 171762331
3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
CID 79997798
(3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 142520085
N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
CID 79998220
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxylic acid
CID 137435972
3,5-dimethyl-N-(1-phenylethyl)adamantane-1-carboxamide
CID 112759840
(3S,5S)-3-(fluoromethyl)-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
CID 137435864

Frequently Asked Questions

What is the IUPAC name of N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide?
The IUPAC name of N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide (CID 130269738) is N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide.
What is the SMILES notation for N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide?
The canonical SMILES for N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide is CC12CC3CC(C(=O)NC4CC5(CNC5)C4)(C1)CC3(c1ccccc1)C2.
What is the InChIKey of N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide?
The InChIKey is CEVDBSMCDFETPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-20-7-17-8-22(11-20,13-23(17,12-20)16-5-3-2-4-6-16)19(26)25-18-9-21(10-18)14-24-15-21/h2-6,17-18,24H,7-15H2,1H3,(H,25,26).
What are the key properties of N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide?
N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azaspiro[3.3]heptan-6-yl)-5-methyl-3-phenyltricyclo[3.3.1.03,7]nonane-1-carboxamide is sourced from PubChem (CID 130269738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).