2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide

C12H22N2O2 — CID 79607673

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCCO
InChIInChI=1S/C12H22N2O2/c15-5-1-4-13-12(16)8-9-6-10-2-3-11(7-9)14-10/h9-11,14-15H,1-8H2,(H,13,16)
InChIKeyLFCHNYVGSIYGCU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.41
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide (PubChem CID 79607673) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
PubChem CID79607673
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCCO
InChIInChI=1S/C12H22N2O2/c15-5-1-4-13-12(16)8-9-6-10-2-3-11(7-9)14-10/h9-11,14-15H,1-8H2,(H,13,16)
InChIKeyLFCHNYVGSIYGCU-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dipropylamino)propyl]acetamide;dihydrochloride
CID 119861221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methoxypentyl)acetamide
CID 103810008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide
CID 115739281
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
CID 79607251
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide
CID 119831249
2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739227
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
CID 79606940
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide
CID 119782993
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79610567
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 79610570
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(benzenesulfonyl)propyl]acetamide
CID 119755174

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide (CID 79607673) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide is O=C(CC1CC2CCC(C1)N2)NCCCO.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is LFCHNYVGSIYGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-5-1-4-13-12(16)8-9-6-10-2-3-11(7-9)14-10/h9-11,14-15H,1-8H2,(H,13,16).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 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-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 79607673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).