2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide

C19H24N2O2 — CID 119691713

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1CC2CCC(C1)N2)c1cc2ccccc2o1
InChIInChI=1S/C19H24N2O2/c1-12(18-11-14-4-2-3-5-17(14)23-18)20-19(22)10-13-8-15-6-7-16(9-13)21-15/h2-5,11-13,15-16,21H,6-10H2,1H3,(H,20,22)
InChIKeyQLQBEKRSWYQUOM-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.53
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide (PubChem CID 119691713) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
PubChem CID119691713
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1CC2CCC(C1)N2)c1cc2ccccc2o1
InChIInChI=1S/C19H24N2O2/c1-12(18-11-14-4-2-3-5-17(14)23-18)20-19(22)10-13-8-15-6-7-16(9-13)21-15/h2-5,11-13,15-16,21H,6-10H2,1H3,(H,20,22)
InChIKeyQLQBEKRSWYQUOM-UHFFFAOYSA-N
XLogP3.53
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 64618561
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9369701
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685958
N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 51206826
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-benzofuran-2-yl)ethyl]acetamide
CID 119799136
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 79609850
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 55395187
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide (CID 119691713) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide is CC(NC(=O)CC1CC2CCC(C1)N2)c1cc2ccccc2o1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
The InChIKey is QLQBEKRSWYQUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12(18-11-14-4-2-3-5-17(14)23-18)20-19(22)10-13-8-15-6-7-16(9-13)21-15/h2-5,11-13,15-16,21H,6-10H2,1H3,(H,20,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 119691713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).