N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide

C23H33NO — CID 162754696

IUPACN-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CC2CCCC(c3ccccc3)(C2)C1
InChIInChI=1S/C23H33NO/c1-22(21(25)24-20-12-6-3-7-13-20)15-18-9-8-14-23(16-18,17-22)19-10-4-2-5-11-19/h2,4-5,10-11,18,20H,3,6-9,12-17H2,1H3,(H,24,25)
InChIKeyCEVACNCSJUOSFL-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.36
Rot. Bonds3

About N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide

N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 162754696) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID162754696
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC NameN-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CC2CCCC(c3ccccc3)(C2)C1
InChIInChI=1S/C23H33NO/c1-22(21(25)24-20-12-6-3-7-13-20)15-18-9-8-14-23(16-18,17-22)19-10-4-2-5-11-19/h2,4-5,10-11,18,20H,3,6-9,12-17H2,1H3,(H,24,25)
InChIKeyCEVACNCSJUOSFL-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754729
(7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519787
N-[4-(aminomethyl)cyclohexyl]-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519882
N-cyclohexyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbothioamide;methanamine
CID 162525710
3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162525913
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
chloroethane;N-[1-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)ethenyl]cyclohexanamine;methanamine
CID 142519904
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane
CID 142519896
1-phenylbicyclo[2.1.1]hexane
CID 588664
cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 162525463
(7S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-(fluoromethyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519816

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide (CID 162754696) is N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide is CC1(C(=O)NC2CCCCC2)CC2CCCC(c3ccccc3)(C2)C1.
What is the InChIKey of N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is CEVACNCSJUOSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-22(21(25)24-20-12-6-3-7-13-20)15-18-9-8-14-23(16-18,17-22)19-10-4-2-5-11-19/h2,4-5,10-11,18,20H,3,6-9,12-17H2,1H3,(H,24,25).
What are the key properties of N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 339.52 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 162754696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).