3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide

C20H20N4O4 — CID 3785636

IUPAC3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide
SMILESCCCn1c(O)c(/N=N/C(=O)CNC(=O)C=Cc2ccco2)c2ccccc21
InChIInChI=1S/C20H20N4O4/c1-2-11-24-16-8-4-3-7-15(16)19(20(24)27)23-22-18(26)13-21-17(25)10-9-14-6-5-12-28-14/h3-10,12,27H,2,11,13H2,1H3,(H,21,25)/b10-9?,23-22+
InChIKeyZQYFSRYLOJFLQX-MTRWZJRTSA-N
MW380.40 g/mol
LogP3.79
Rot. Bonds7

About 3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide

3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide (PubChem CID 3785636) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide
PubChem CID3785636
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide
SMILESCCCn1c(O)c(/N=N/C(=O)CNC(=O)C=Cc2ccco2)c2ccccc21
InChIInChI=1S/C20H20N4O4/c1-2-11-24-16-8-4-3-7-15(16)19(20(24)27)23-22-18(26)13-21-17(25)10-9-14-6-5-12-28-14/h3-10,12,27H,2,11,13H2,1H3,(H,21,25)/b10-9?,23-22+
InChIKeyZQYFSRYLOJFLQX-MTRWZJRTSA-N
XLogP3.79
TPSA109.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.79
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 3729136
N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
CID 135810850
methyl 2-[2-hydroxy-3-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]acetyl]diazenyl]indol-1-yl]acetate
CID 135648157
(E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 2027081
(E)-N-[2-[(2-hydroxy-1-prop-2-enylindol-3-yl)diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 135437899
N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1390932
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3712818
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[2-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135526905
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium
CID 135710479
tert-butyl N-(1-hexyl-2-hydroxyindol-3-yl)iminocarbamate
CID 135881483

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide (CID 3785636) is 3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide is CCCn1c(O)c(/N=N/C(=O)CNC(=O)C=Cc2ccco2)c2ccccc21.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide?
The InChIKey is ZQYFSRYLOJFLQX-MTRWZJRTSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-2-11-24-16-8-4-3-7-15(16)19(20(24)27)23-22-18(26)13-21-17(25)10-9-14-6-5-12-28-14/h3-10,12,27H,2,11,13H2,1H3,(H,21,25)/b10-9?,23-22+.
What are the key properties of 3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide has a molecular weight of 380.40 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 3785636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).