N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide

C23H20N4O4 — CID 1418564

IUPACN-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)/N=N/c1c(O)n(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C23H20N4O4/c28-20(15-24-22(29)19-11-6-14-31-19)25-26-21-17-9-4-5-10-18(17)27(23(21)30)13-12-16-7-2-1-3-8-16/h1-11,14,30H,12-13,15H2,(H,24,29)/b26-25+
InChIKeyDUYSUIPBLBHRDR-OCEACIFDSA-N
MW416.44 g/mol
LogP4.22
Rot. Bonds7

About N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 1418564) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID1418564
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)/N=N/c1c(O)n(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C23H20N4O4/c28-20(15-24-22(29)19-11-6-14-31-19)25-26-21-17-9-4-5-10-18(17)27(23(21)30)13-12-16-7-2-1-3-8-16/h1-11,14,30H,12-13,15H2,(H,24,29)/b26-25+
InChIKeyDUYSUIPBLBHRDR-OCEACIFDSA-N
XLogP4.22
TPSA109.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.22
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'}

Analyze N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide (CID 1418564) is N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)/N=N/c1c(O)n(CCc2ccccc2)c2ccccc12.
What is the InChIKey of N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is DUYSUIPBLBHRDR-OCEACIFDSA-N. The full InChI is InChI=1S/C23H20N4O4/c28-20(15-24-22(29)19-11-6-14-31-19)25-26-21-17-9-4-5-10-18(17)27(23(21)30)13-12-16-7-2-1-3-8-16/h1-11,14,30H,12-13,15H2,(H,24,29)/b26-25+.
What are the key properties of N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-1-(2-phenylethyl)indol-3-yl]diazenyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 1418564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).