N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide

C13H22N2O2 — CID 103113464

IUPACN-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
SMILESCCN(C)C(=O)C(C)N1C2CCC1CC(=O)C2
InChIInChI=1S/C13H22N2O2/c1-4-14(3)13(17)9(2)15-10-5-6-11(15)8-12(16)7-10/h9-11H,4-8H2,1-3H3
InChIKeyBLRPSGVNNSYCBS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.05
Rot. Bonds3

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

N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide (PubChem CID 103113464) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
PubChem CID103113464
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
SMILESCCN(C)C(=O)C(C)N1C2CCC1CC(=O)C2
InChIInChI=1S/C13H22N2O2/c1-4-14(3)13(17)9(2)15-10-5-6-11(15)8-12(16)7-10/h9-11H,4-8H2,1-3H3
InChIKeyBLRPSGVNNSYCBS-UHFFFAOYSA-N
XLogP1.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The IUPAC name of N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide (CID 103113464) is N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide is CCN(C)C(=O)C(C)N1C2CCC1CC(=O)C2.
What is the InChIKey of N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The InChIKey is BLRPSGVNNSYCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-14(3)13(17)9(2)15-10-5-6-11(15)8-12(16)7-10/h9-11H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide has a molecular weight of 238.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide is sourced from PubChem (CID 103113464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).