N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide

C15H19N3O2 — CID 91911668

IUPACN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccco2)n1C1CCC1
InChIInChI=1S/C15H19N3O2/c1-11-10-17-14(18(11)12-4-2-5-12)7-8-16-15(19)13-6-3-9-20-13/h3,6,9-10,12H,2,4-5,7-8H2,1H3,(H,16,19)
InChIKeyQUZXQLHJHQUONP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.48
Rot. Bonds5

About N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide

N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 91911668) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID91911668
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccco2)n1C1CCC1
InChIInChI=1S/C15H19N3O2/c1-11-10-17-14(18(11)12-4-2-5-12)7-8-16-15(19)13-6-3-9-20-13/h3,6,9-10,12H,2,4-5,7-8H2,1H3,(H,16,19)
InChIKeyQUZXQLHJHQUONP-UHFFFAOYSA-N
XLogP2.48
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide (CID 91911668) is N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide is Cc1cnc(CCNC(=O)c2ccco2)n1C1CCC1.
What is the InChIKey of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is QUZXQLHJHQUONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-10-17-14(18(11)12-4-2-5-12)7-8-16-15(19)13-6-3-9-20-13/h3,6,9-10,12H,2,4-5,7-8H2,1H3,(H,16,19).
What are the key properties of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide?
N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 91911668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).