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

C14H22N4O2 — CID 61232669

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide
SMILESCCCN(C(=O)c1c[nH]c(=O)[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N4O2/c1-2-5-18(13(19)12-8-15-14(20)17-12)11-6-9-3-4-10(7-11)16-9/h8-11,16H,2-7H2,1H3,(H2,15,17,20)
InChIKeyRJTHQHVOYLDKFB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.84
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide (PubChem CID 61232669) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide
PubChem CID61232669
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide
SMILESCCCN(C(=O)c1c[nH]c(=O)[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N4O2/c1-2-5-18(13(19)12-8-15-14(20)17-12)11-6-9-3-4-10(7-11)16-9/h8-11,16H,2-7H2,1H3,(H2,15,17,20)
InChIKeyRJTHQHVOYLDKFB-UHFFFAOYSA-N
XLogP0.84
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.84
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)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide (CID 61232669) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide is CCCN(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)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is RJTHQHVOYLDKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-5-18(13(19)12-8-15-14(20)17-12)11-6-9-3-4-10(7-11)16-9/h8-11,16H,2-7H2,1H3,(H2,15,17,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.84, 4 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)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 61232669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).