2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide

C22H28N2O3 — CID 119816817

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)N(Cc1ccccc1)CC(O)c1ccco1
InChIInChI=1S/C22H28N2O3/c25-20(21-7-4-10-27-21)15-24(14-16-5-2-1-3-6-16)22(26)13-17-11-18-8-9-19(12-17)23-18/h1-7,10,17-20,23,25H,8-9,11-15H2
InChIKeyJJCZZKJGLJWHDA-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.26
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide (PubChem CID 119816817) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
PubChem CID119816817
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)N(Cc1ccccc1)CC(O)c1ccco1
InChIInChI=1S/C22H28N2O3/c25-20(21-7-4-10-27-21)15-24(14-16-5-2-1-3-6-16)22(26)13-17-11-18-8-9-19(12-17)23-18/h1-7,10,17-20,23,25H,8-9,11-15H2
InChIKeyJJCZZKJGLJWHDA-UHFFFAOYSA-N
XLogP3.26
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide with MolForge

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Related Compounds

N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 97011235
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 79610300
N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 111969862
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide
CID 110025714
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 84586214
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753320
N-benzyl-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-6-methylpyridine-2-carboxamide
CID 97011240
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride
CID 119753319
N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide
CID 111969855
N-benzyl-1-tert-butyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
CID 139004625
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide (CID 119816817) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide is O=C(CC1CC2CCC(C1)N2)N(Cc1ccccc1)CC(O)c1ccco1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The InChIKey is JJCZZKJGLJWHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-20(21-7-4-10-27-21)15-24(14-16-5-2-1-3-6-16)22(26)13-17-11-18-8-9-19(12-17)23-18/h1-7,10,17-20,23,25H,8-9,11-15H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 119816817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).