(3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone

C22H31NO3 — CID 164710360

IUPAC(3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCOc1ccc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)cc1C
InChIInChI=1S/C22H31NO3/c1-15-10-17(4-5-19(15)26-3)16-6-8-22(9-7-16)13-23(14-22)20(24)18-11-21(2,25)12-18/h4-5,10,16,18,25H,6-9,11-14H2,1-3H3
InChIKeyJXZSDVQJMPTPRS-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.65
Rot. Bonds3

About (3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 164710360) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID164710360
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCOc1ccc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)cc1C
InChIInChI=1S/C22H31NO3/c1-15-10-17(4-5-19(15)26-3)16-6-8-22(9-7-16)13-23(14-22)20(24)18-11-21(2,25)12-18/h4-5,10,16,18,25H,6-9,11-14H2,1-3H3
InChIKeyJXZSDVQJMPTPRS-UHFFFAOYSA-N
XLogP3.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone (CID 164710360) is (3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone is COc1ccc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)cc1C.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is JXZSDVQJMPTPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-15-10-17(4-5-19(15)26-3)16-6-8-22(9-7-16)13-23(14-22)20(24)18-11-21(2,25)12-18/h4-5,10,16,18,25H,6-9,11-14H2,1-3H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 357.49 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[7-(4-methoxy-3-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 164710360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).