3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide

C24H30N2O — CID 58680398

IUPAC3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
SMILESC[C@H]1C2CCCC1(c1cccc(C(N)=O)c1)CCN2CCc1ccccc1
InChIInChI=1S/C24H30N2O/c1-18-22-11-6-13-24(18,21-10-5-9-20(17-21)23(25)27)14-16-26(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22H,6,11-16H2,1H3,(H2,25,27)/t18-,22?,24?/m0/s1
InChIKeySGSUSZPVKFWQTC-IYHNFFKESA-N
MW362.52 g/mol
LogP4.16
Rot. Bonds5

About 3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide

3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide (PubChem CID 58680398) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide.

Molecular Properties

Compound Name3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
PubChem CID58680398
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
SMILESC[C@H]1C2CCCC1(c1cccc(C(N)=O)c1)CCN2CCc1ccccc1
InChIInChI=1S/C24H30N2O/c1-18-22-11-6-13-24(18,21-10-5-9-20(17-21)23(25)27)14-16-26(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22H,6,11-16H2,1H3,(H2,25,27)/t18-,22?,24?/m0/s1
InChIKeySGSUSZPVKFWQTC-IYHNFFKESA-N
XLogP4.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol
CID 16756733
methyl 2-[[5-(3-aminophenyl)-9-methyl-2-azabicyclo[3.3.1]nonan-2-yl]methyl]-3-phenylpropanoate
CID 23546832
methyl 2-[[(9R)-5-[3-(benzhydrylideneamino)phenyl]-9-methyl-2-azabicyclo[3.3.1]nonan-2-yl]methyl]-3-phenylpropanoate
CID 58724291
3-[(1S,9R)-9-(3-hydroxypropyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 155771773
3-[(3S,4S)-1-[2-[3-(1-hydroxycyclohexyl)phenyl]ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11351026
3-[2-(2-phenylethyl)-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-4a-yl]phenol;hydrobromide
CID 173433934
(1S,5R)-2,9-dimethyl-5-(3-methylphenyl)-2-azabicyclo[3.3.1]nonane
CID 159977766
3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11187573
(1R,8R,10S,11S)-12-(2-phenylethyl)-12-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-triene-6,8-diol
CID 71541564
oxalic acid;(1R,9R,10R)-4-phenoxy-17-(2-phenylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 70582054
3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11302909
3-[2-(2-phenylethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol
CID 13281987

Frequently Asked Questions

What is the IUPAC name of 3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
The IUPAC name of 3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide (CID 58680398) is 3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide.
What is the SMILES notation for 3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
The canonical SMILES for 3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide is C[C@H]1C2CCCC1(c1cccc(C(N)=O)c1)CCN2CCc1ccccc1.
What is the InChIKey of 3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
The InChIKey is SGSUSZPVKFWQTC-IYHNFFKESA-N. The full InChI is InChI=1S/C24H30N2O/c1-18-22-11-6-13-24(18,21-10-5-9-20(17-21)23(25)27)14-16-26(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22H,6,11-16H2,1H3,(H2,25,27)/t18-,22?,24?/m0/s1.
What are the key properties of 3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide has a molecular weight of 362.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide is sourced from PubChem (CID 58680398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).