N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide

C13H20N4O2 — CID 61231699

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCN(C(=O)c1c[nH]c(=O)[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H20N4O2/c1-2-17(12(18)11-7-14-13(19)16-11)10-5-8-3-4-9(6-10)15-8/h7-10,15H,2-6H2,1H3,(H2,14,16,19)
InChIKeyZCMBOPXACPZHOK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.45
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 61231699) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID61231699
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCN(C(=O)c1c[nH]c(=O)[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H20N4O2/c1-2-17(12(18)11-7-14-13(19)16-11)10-5-8-3-4-9(6-10)15-8/h7-10,15H,2-6H2,1H3,(H2,14,16,19)
InChIKeyZCMBOPXACPZHOK-UHFFFAOYSA-N
XLogP0.45
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 61231699) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is CCN(C(=O)c1c[nH]c(=O)[nH]1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is ZCMBOPXACPZHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-17(12(18)11-7-14-13(19)16-11)10-5-8-3-4-9(6-10)15-8/h7-10,15H,2-6H2,1H3,(H2,14,16,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 61231699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).