2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane

C24H31NO — CID 170182345

IUPAC2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane
SMILESCOc1c(-c2ccccc2)cccc1N1CC2(CCCCC2)CC1(C)C
InChIInChI=1S/C24H31NO/c1-23(2)17-24(15-8-5-9-16-24)18-25(23)21-14-10-13-20(22(21)26-3)19-11-6-4-7-12-19/h4,6-7,10-14H,5,8-9,15-18H2,1-3H3
InChIKeyKPZSZUPFWAAFEK-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.30
Rot. Bonds3

About 2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane

2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane (PubChem CID 170182345) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane
PubChem CID170182345
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane
SMILESCOc1c(-c2ccccc2)cccc1N1CC2(CCCCC2)CC1(C)C
InChIInChI=1S/C24H31NO/c1-23(2)17-24(15-8-5-9-16-24)18-25(23)21-14-10-13-20(22(21)26-3)19-11-6-4-7-12-19/h4,6-7,10-14H,5,8-9,15-18H2,1-3H3
InChIKeyKPZSZUPFWAAFEK-UHFFFAOYSA-N
XLogP6.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane?
The IUPAC name of 2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane (CID 170182345) is 2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane is COc1c(-c2ccccc2)cccc1N1CC2(CCCCC2)CC1(C)C.
What is the InChIKey of 2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane?
The InChIKey is KPZSZUPFWAAFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-23(2)17-24(15-8-5-9-16-24)18-25(23)21-14-10-13-20(22(21)26-3)19-11-6-4-7-12-19/h4,6-7,10-14H,5,8-9,15-18H2,1-3H3.
What are the key properties of 2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane?
2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane has a molecular weight of 349.52 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane is sourced from PubChem (CID 170182345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).