N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C13H24N2O2 — CID 81055923

IUPACN-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)OCCN(C)C(=O)C1CC2CCC1N2
InChIInChI=1S/C13H24N2O2/c1-9(2)17-7-6-15(3)13(16)11-8-10-4-5-12(11)14-10/h9-12,14H,4-8H2,1-3H3
InChIKeyLZAXVCZQISZILL-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds5

About N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 81055923) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID81055923
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)OCCN(C)C(=O)C1CC2CCC1N2
InChIInChI=1S/C13H24N2O2/c1-9(2)17-7-6-15(3)13(16)11-8-10-4-5-12(11)14-10/h9-12,14H,4-8H2,1-3H3
InChIKeyLZAXVCZQISZILL-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 81055923) is N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC(C)OCCN(C)C(=O)C1CC2CCC1N2.
What is the InChIKey of N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LZAXVCZQISZILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)17-7-6-15(3)13(16)11-8-10-4-5-12(11)14-10/h9-12,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-propan-2-yloxyethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 81055923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).