N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide

C17H16N4O4 — CID 917064

IUPACN-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
SMILESCCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C17H16N4O4/c1-2-21-12-7-4-3-6-11(12)15(17(21)24)20-19-14(22)10-18-16(23)13-8-5-9-25-13/h3-9,24H,2,10H2,1H3,(H,18,23)/b20-19+
InChIKeyTURQXJIGOFGXLZ-FMQUCBEESA-N
MW340.34 g/mol
LogP3.00
Rot. Bonds5

About N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 917064) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID917064
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
SMILESCCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C17H16N4O4/c1-2-21-12-7-4-3-6-11(12)15(17(21)24)20-19-14(22)10-18-16(23)13-8-5-9-25-13/h3-9,24H,2,10H2,1H3,(H,18,23)/b20-19+
InChIKeyTURQXJIGOFGXLZ-FMQUCBEESA-N
XLogP3.00
TPSA109.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide (CID 917064) is N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide is CCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21.
What is the InChIKey of N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is TURQXJIGOFGXLZ-FMQUCBEESA-N. The full InChI is InChI=1S/C17H16N4O4/c1-2-21-12-7-4-3-6-11(12)15(17(21)24)20-19-14(22)10-18-16(23)13-8-5-9-25-13/h3-9,24H,2,10H2,1H3,(H,18,23)/b20-19+.
What are the key properties of N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 917064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).