6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide

C22H33NO — CID 162754607

IUPAC6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCCCC1(CC)CCC2(c3ccccc3)CC1CC(C)(C(N)=O)C2
InChIInChI=1S/C22H33NO/c1-4-11-21(5-2)12-13-22(17-9-7-6-8-10-17)15-18(21)14-20(3,16-22)19(23)24/h6-10,18H,4-5,11-16H2,1-3H3,(H2,23,24)
InChIKeyDMTFEQXJPCXBGT-UHFFFAOYSA-N
MW327.51 g/mol
LogP5.21
Rot. Bonds5

About 6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide

6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 162754607) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID162754607
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCCCC1(CC)CCC2(c3ccccc3)CC1CC(C)(C(N)=O)C2
InChIInChI=1S/C22H33NO/c1-4-11-21(5-2)12-13-22(17-9-7-6-8-10-17)15-18(21)14-20(3,16-22)19(23)24/h6-10,18H,4-5,11-16H2,1-3H3,(H2,23,24)
InChIKeyDMTFEQXJPCXBGT-UHFFFAOYSA-N
XLogP5.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,7-dimethyl-7-(methylsulfanylmethyl)-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 162525987
3-phenyl-6-propylideneadamantane-1-carboxamide
CID 166909043
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
6-ethyl-1-phenyltricyclo[4.3.1.13,8]undecane-3-carboxamide;molecular hydrogen
CID 142519943
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137435862
cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 162525463
(6E)-3,7-dimethyl-1-phenyl-6-propylidenebicyclo[3.3.1]nonane-3-carboxylic acid
CID 162525699
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754729
(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
CID 162525467
N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754696
3-ethyl-6,6-dimethyl-3-phenylbicyclo[3.2.1]octane-1-carbothioamide
CID 162754583

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide (CID 162754607) is 6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide is CCCC1(CC)CCC2(c3ccccc3)CC1CC(C)(C(N)=O)C2.
What is the InChIKey of 6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is DMTFEQXJPCXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-4-11-21(5-2)12-13-22(17-9-7-6-8-10-17)15-18(21)14-20(3,16-22)19(23)24/h6-10,18H,4-5,11-16H2,1-3H3,(H2,23,24).
What are the key properties of 6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide?
6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 327.51 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-phenyl-6-propylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 162754607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).