N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

C12H20N2O2 — CID 62712342

IUPACN-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
SMILESCNC(=O)CCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C12H20N2O2/c1-13-12(16)5-6-14-9-3-2-4-10(14)8-11(15)7-9/h9-10H,2-8H2,1H3,(H,13,16)
InChIKeyFXWCLRCGCMMZEQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.71
Rot. Bonds3

About N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (PubChem CID 62712342) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
PubChem CID62712342
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
SMILESCNC(=O)CCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C12H20N2O2/c1-13-12(16)5-6-14-9-3-2-4-10(14)8-11(15)7-9/h9-10H,2-8H2,1H3,(H,13,16)
InChIKeyFXWCLRCGCMMZEQ-UHFFFAOYSA-N
XLogP0.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The IUPAC name of N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (CID 62712342) is N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.
What is the SMILES notation for N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The canonical SMILES for N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is CNC(=O)CCN1C2CCCC1CC(=O)C2.
What is the InChIKey of N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The InChIKey is FXWCLRCGCMMZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-12(16)5-6-14-9-3-2-4-10(14)8-11(15)7-9/h9-10H,2-8H2,1H3,(H,13,16).
What are the key properties of N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide has a molecular weight of 224.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is sourced from PubChem (CID 62712342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).