N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

C13H22N2O2 — CID 62714663

IUPACN,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
SMILESCC(C(=O)N(C)C)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C13H22N2O2/c1-9(13(17)14(2)3)15-10-5-4-6-11(15)8-12(16)7-10/h9-11H,4-8H2,1-3H3
InChIKeyOJFSUSUHXRKPCG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.05
Rot. Bonds2

About N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (PubChem CID 62714663) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
PubChem CID62714663
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
SMILESCC(C(=O)N(C)C)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C13H22N2O2/c1-9(13(17)14(2)3)15-10-5-4-6-11(15)8-12(16)7-10/h9-11H,4-8H2,1-3H3
InChIKeyOJFSUSUHXRKPCG-UHFFFAOYSA-N
XLogP1.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 103113464
8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 113408769
N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 62739455
9-(3,3-dimethylbutan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one
CID 104830042
ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one
CID 159223821
(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 167012852
9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713752
N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 62738998
9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62714481
9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62714644
9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62713412
9-(7-methyloctyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114004422

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The IUPAC name of N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (CID 62714663) is N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The canonical SMILES for N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is CC(C(=O)N(C)C)N1C2CCCC1CC(=O)C2.
What is the InChIKey of N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The InChIKey is OJFSUSUHXRKPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(13(17)14(2)3)15-10-5-4-6-11(15)8-12(16)7-10/h9-11H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide has a molecular weight of 238.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is sourced from PubChem (CID 62714663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).