N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide

C18H19N3O3 — CID 719461

IUPACN-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide
SMILESCC(C)CCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C18H19N3O3/c1-12(2)9-10-21-14-7-4-3-6-13(14)16(18(21)23)19-20-17(22)15-8-5-11-24-15/h3-8,11-12,23H,9-10H2,1-2H3/b20-19+
InChIKeyBWQOHGWHQAHWNS-FMQUCBEESA-N
MW325.37 g/mol
LogP4.91
Rot. Bonds5

About N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide

N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide (PubChem CID 719461) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide
PubChem CID719461
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide
SMILESCC(C)CCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C18H19N3O3/c1-12(2)9-10-21-14-7-4-3-6-13(14)16(18(21)23)19-20-17(22)15-8-5-11-24-15/h3-8,11-12,23H,9-10H2,1-2H3/b20-19+
InChIKeyBWQOHGWHQAHWNS-FMQUCBEESA-N
XLogP4.91
TPSA80.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide?
The IUPAC name of N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide (CID 719461) is N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide is CC(C)CCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide?
The InChIKey is BWQOHGWHQAHWNS-FMQUCBEESA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(2)9-10-21-14-7-4-3-6-13(14)16(18(21)23)19-20-17(22)15-8-5-11-24-15/h3-8,11-12,23H,9-10H2,1-2H3/b20-19+.
What are the key properties of N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide?
N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(3-methylbutyl)indol-3-yl]iminofuran-2-carboxamide is sourced from PubChem (CID 719461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).