2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide

C14H27N3O2 — CID 61230707

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H27N3O2/c1-10(14(18)15-6-7-19-3)17(2)13-8-11-4-5-12(9-13)16-11/h10-13,16H,4-9H2,1-3H3,(H,15,18)
InChIKeyITKQCBAXKSEAHK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.35
Rot. Bonds6

About 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 61230707) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID61230707
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H27N3O2/c1-10(14(18)15-6-7-19-3)17(2)13-8-11-4-5-12(9-13)16-11/h10-13,16H,4-9H2,1-3H3,(H,15,18)
InChIKeyITKQCBAXKSEAHK-UHFFFAOYSA-N
XLogP0.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.35
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-{1-[(2-Methoxy-ethylcarbamoyl)-methyl]-piperidin-4-yl}-2,2-dimethyl-propionamide
CID 3221021
N-(2-methoxyethyl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]acetamide
CID 72044073
N-cyclohexyl-2-(2-morpholin-4-ylethylamino)propanamide
CID 3226810
N'-cycloheptyl-N-(1-methoxypropan-2-yl)ethanediamide
CID 45497336
N-(2-Methoxyethyl)-5-oxo-1-(piperidin-4-YL)pyrrolidine-2-carboxamide
CID 86820482
N-cycloheptyl-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6471078
(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
CID 56707334
N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2-ethoxyacetamide
CID 95301932
N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide
CID 164640528
N-[2-(4-morpholinyl)ethyl]-2-pyrrolidinecarboxamide
CID 17908651
4-(Pyrrolidin-2-ylcarbonyl)morpholine
CID 6421035
4-[(2R,4S)-4-fluoropyrrolidine-2-carbonyl]-1-(2-methoxyethyl)piperazin-2-one
CID 137858766

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide (CID 61230707) is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is ITKQCBAXKSEAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(14(18)15-6-7-19-3)17(2)13-8-11-4-5-12(9-13)16-11/h10-13,16H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.35, 6 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(methyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 61230707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).