2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate

C23H28N2O2 — CID 71439184

IUPAC2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate
SMILESCN1CC2CCC(C1)N2CCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-24-16-20-12-13-21(17-24)25(20)14-15-27-23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3
InChIKeyPWJIKWQVZGZQJM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.14
Rot. Bonds6

About 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate

2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate (PubChem CID 71439184) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate.

Molecular Properties

Compound Name2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate
PubChem CID71439184
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate
SMILESCN1CC2CCC(C1)N2CCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-24-16-20-12-13-21(17-24)25(20)14-15-27-23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3
InChIKeyPWJIKWQVZGZQJM-UHFFFAOYSA-N
XLogP3.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate with MolForge

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Related Compounds

2-[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl 4-aminobenzoate
CID 90474354
[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
CID 3553500
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)-2-phenylacetate
CID 3057560
propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 111461861
10-morpholin-4-yldecyl 2,2-diphenylacetate
CID 97355396
2-(2,2-diphenylacetyl)oxyethyl-triethylazanium bromide
CID 3028235
2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 2,2-diphenylacetate
CID 3753833
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 103976377
2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide
CID 134828224
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate?
The IUPAC name of 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate (CID 71439184) is 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate.
What is the SMILES notation for 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate?
The canonical SMILES for 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate is CN1CC2CCC(C1)N2CCOC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate?
The InChIKey is PWJIKWQVZGZQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-24-16-20-12-13-21(17-24)25(20)14-15-27-23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3.
What are the key properties of 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate?
2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate has a molecular weight of 364.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate is sourced from PubChem (CID 71439184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).