(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate

C28H35NO3 — CID 11532129

IUPAC(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
SMILESCc1ccc(C(O)(C(=O)OC2C3CCC2CN(Cc2ccccc2)C3)C2CCCC2)cc1
InChIInChI=1S/C28H35NO3/c1-20-11-15-25(16-12-20)28(31,24-9-5-6-10-24)27(30)32-26-22-13-14-23(26)19-29(18-22)17-21-7-3-2-4-8-21/h2-4,7-8,11-12,15-16,22-24,26,31H,5-6,9-10,13-14,17-19H2,1H3
InChIKeyINQOKIPRVGVYNJ-UHFFFAOYSA-N
MW433.59 g/mol
LogP4.83
Rot. Bonds6

About (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate

(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate (PubChem CID 11532129) has the molecular formula C28H35NO3 and a molecular weight of 433.59 g/mol. Its IUPAC name is (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
PubChem CID11532129
Molecular FormulaC28H35NO3
Molecular Weight433.59 g/mol
Exact Mass433.26
IUPAC Name(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
SMILESCc1ccc(C(O)(C(=O)OC2C3CCC2CN(Cc2ccccc2)C3)C2CCCC2)cc1
InChIInChI=1S/C28H35NO3/c1-20-11-15-25(16-12-20)28(31,24-9-5-6-10-24)27(30)32-26-22-13-14-23(26)19-29(18-22)17-21-7-3-2-4-8-21/h2-4,7-8,11-12,15-16,22-24,26,31H,5-6,9-10,13-14,17-19H2,1H3
InChIKeyINQOKIPRVGVYNJ-UHFFFAOYSA-N
XLogP4.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate with MolForge

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Launch Full Analysis

Related Compounds

(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 11582875
(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrobromide
CID 25055664
[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 16718273
acetic acid;(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 25056698
3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11602361
[(1R)-2-(pyridin-3-ylmethyl)-2-azabicyclo[2.2.1]heptan-7-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 68949293
2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 11201313
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 68952925
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide
CID 11755574
(1-methylpyrrolidin-3-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 59751377
(2,2-dimethyl-2-azoniabicyclo[2.2.1]heptan-7-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate iodide
CID 69263738

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate?
The IUPAC name of (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate (CID 11532129) is (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate.
What is the SMILES notation for (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate?
The canonical SMILES for (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate is Cc1ccc(C(O)(C(=O)OC2C3CCC2CN(Cc2ccccc2)C3)C2CCCC2)cc1.
What is the InChIKey of (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate?
The InChIKey is INQOKIPRVGVYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO3/c1-20-11-15-25(16-12-20)28(31,24-9-5-6-10-24)27(30)32-26-22-13-14-23(26)19-29(18-22)17-21-7-3-2-4-8-21/h2-4,7-8,11-12,15-16,22-24,26,31H,5-6,9-10,13-14,17-19H2,1H3.
What are the key properties of (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate?
(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate has a molecular weight of 433.59 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate is sourced from PubChem (CID 11532129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).