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

C13H24N2O3 — CID 55236053

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1C2CCC1CC(O)C2
InChIInChI=1S/C13H24N2O3/c1-18-6-2-5-14-13(17)9-15-10-3-4-11(15)8-12(16)7-10/h10-12,16H,2-9H2,1H3,(H,14,17)
InChIKeyVCGVNTMEMZCVNT-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.13
Rot. Bonds6

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

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 55236053) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide
PubChem CID55236053
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1C2CCC1CC(O)C2
InChIInChI=1S/C13H24N2O3/c1-18-6-2-5-14-13(17)9-15-10-3-4-11(15)8-12(16)7-10/h10-12,16H,2-9H2,1H3,(H,14,17)
InChIKeyVCGVNTMEMZCVNT-UHFFFAOYSA-N
XLogP0.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 55235283
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide
CID 63768000
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide
CID 71869588
methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 112632888
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 102787948
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 61234625
1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 55136075
N-ethyl-2-[(5R)-3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide;molecular hydrogen
CID 170569292
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide
CID 79840477

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide (CID 55236053) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1C2CCC1CC(O)C2.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is VCGVNTMEMZCVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-18-6-2-5-14-13(17)9-15-10-3-4-11(15)8-12(16)7-10/h10-12,16H,2-9H2,1H3,(H,14,17).
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide?
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55236053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).