ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate

C18H25NO2 — CID 54252728

IUPACethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate
SMILESCCOC(=O)CC12CCCC(CC1)N2Cc1ccccc1
InChIInChI=1S/C18H25NO2/c1-2-21-17(20)13-18-11-6-9-16(10-12-18)19(18)14-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3
InChIKeyQXXHTDACKCCILO-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.53
Rot. Bonds5

About ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate

ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate (PubChem CID 54252728) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate
PubChem CID54252728
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate
SMILESCCOC(=O)CC12CCCC(CC1)N2Cc1ccccc1
InChIInChI=1S/C18H25NO2/c1-2-21-17(20)13-18-11-6-9-16(10-12-18)19(18)14-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3
InChIKeyQXXHTDACKCCILO-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(7-benzyl-7-azabicyclo[2.2.1]heptan-1-yl)acetate
CID 10707427
8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 91101325
ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
CID 22360002
ethyl 2-phenylacetate
CID 7590
ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate
CID 146158159
ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate
CID 26333828
benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
CID 90202541
benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
CID 70136146
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate?
The IUPAC name of ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate (CID 54252728) is ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate.
What is the SMILES notation for ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate?
The canonical SMILES for ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate is CCOC(=O)CC12CCCC(CC1)N2Cc1ccccc1.
What is the InChIKey of ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate?
The InChIKey is QXXHTDACKCCILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-21-17(20)13-18-11-6-9-16(10-12-18)19(18)14-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3.
What are the key properties of ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate?
ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate has a molecular weight of 287.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-benzyl-8-azabicyclo[3.2.1]octan-1-yl)acetate is sourced from PubChem (CID 54252728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).