N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide

C20H25N3O2 — CID 18182046

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide
SMILESCCNc1ccccc1-c1ccc(C(=O)NC2CN3CCC2CC3)o1
InChIInChI=1S/C20H25N3O2/c1-2-21-16-6-4-3-5-15(16)18-7-8-19(25-18)20(24)22-17-13-23-11-9-14(17)10-12-23/h3-8,14,17,21H,2,9-13H2,1H3,(H,22,24)
InChIKeySYXSTZYTCKEQEV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.20
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide (PubChem CID 18182046) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide
PubChem CID18182046
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide
SMILESCCNc1ccccc1-c1ccc(C(=O)NC2CN3CCC2CC3)o1
InChIInChI=1S/C20H25N3O2/c1-2-21-16-6-4-3-5-15(16)18-7-8-19(25-18)20(24)22-17-13-23-11-9-14(17)10-12-23/h3-8,14,17,21H,2,9-13H2,1H3,(H,22,24)
InChIKeySYXSTZYTCKEQEV-UHFFFAOYSA-N
XLogP3.20
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 18181740
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 18181601
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
CID 21350196
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-5-phenylfuran-2-carboxamide
CID 59113576
5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180723
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18180447
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4602961
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 23599456
N-[(3R)-6-methyl-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 87999259
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 18180444
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 18182100
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 18181198

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide (CID 18182046) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide is CCNc1ccccc1-c1ccc(C(=O)NC2CN3CCC2CC3)o1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide?
The InChIKey is SYXSTZYTCKEQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-21-16-6-4-3-5-15(16)18-7-8-19(25-18)20(24)22-17-13-23-11-9-14(17)10-12-23/h3-8,14,17,21H,2,9-13H2,1H3,(H,22,24).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 18182046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).