2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide

C22H33FN2O — CID 169216210

IUPAC2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2CCC3(CC2)CN(CCC(C)(C)C)C3)c1
InChIInChI=1S/C22H33FN2O/c1-16-11-18(23)13-19(12-16)24-20(26)17-5-7-22(8-6-17)14-25(15-22)10-9-21(2,3)4/h11-13,17H,5-10,14-15H2,1-4H3,(H,24,26)
InChIKeyNVHFHGZPLWPKKJ-UHFFFAOYSA-N
MW360.52 g/mol
LogP5.00
Rot. Bonds4

About 2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide

2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 169216210) has the molecular formula C22H33FN2O and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide
PubChem CID169216210
Molecular FormulaC22H33FN2O
Molecular Weight360.52 g/mol
Exact Mass360.26
IUPAC Name2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2CCC3(CC2)CN(CCC(C)(C)C)C3)c1
InChIInChI=1S/C22H33FN2O/c1-16-11-18(23)13-19(12-16)24-20(26)17-5-7-22(8-6-17)14-25(15-22)10-9-21(2,3)4/h11-13,17H,5-10,14-15H2,1-4H3,(H,24,26)
InChIKeyNVHFHGZPLWPKKJ-UHFFFAOYSA-N
XLogP5.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216205
2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216238
N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216092
2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216124
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79050344
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
2-[(1-cyanocyclopropyl)methyl]-N-[3-(difluoromethoxy)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216132
N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide
CID 107333878
4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 120955050
N-(3-chloro-5-fluorophenyl)-2-[2-(cyclopentylamino)-2-oxoethyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216766

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide (CID 169216210) is 2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide is Cc1cc(F)cc(NC(=O)C2CCC3(CC2)CN(CCC(C)(C)C)C3)c1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is NVHFHGZPLWPKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O/c1-16-11-18(23)13-19(12-16)24-20(26)17-5-7-22(8-6-17)14-25(15-22)10-9-21(2,3)4/h11-13,17H,5-10,14-15H2,1-4H3,(H,24,26).
What are the key properties of 2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide?
2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 169216210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).