N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide

C20H18N4O3 — CID 3729136

IUPACN-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCn1c(O)c(/N=N/C(=O)CNC(=O)C=Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H18N4O3/c1-24-16-10-6-5-9-15(16)19(20(24)27)23-22-18(26)13-21-17(25)12-11-14-7-3-2-4-8-14/h2-12,27H,13H2,1H3,(H,21,25)/b12-11?,23-22+
InChIKeyUERIJUJOIQKQFP-SPJYBIIYSA-N
MW362.39 g/mol
LogP3.32
Rot. Bonds5

About N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide

N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 3729136) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID3729136
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCn1c(O)c(/N=N/C(=O)CNC(=O)C=Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H18N4O3/c1-24-16-10-6-5-9-15(16)19(20(24)27)23-22-18(26)13-21-17(25)12-11-14-7-3-2-4-8-14/h2-12,27H,13H2,1H3,(H,21,25)/b12-11?,23-22+
InChIKeyUERIJUJOIQKQFP-SPJYBIIYSA-N
XLogP3.32
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxyphenyl)prop-2-enamide
CID 3712818
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883
methyl 2-[2-hydroxy-3-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]acetyl]diazenyl]indol-1-yl]acetate
CID 135648157
3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide
CID 3785636
(E)-N-[2-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135526905
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
CID 3371203
3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 1153980
N-[2-[[1-[(3,4-dichlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3544064
(E)-N-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 171982788
(E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 2027081
N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4504322

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide (CID 3729136) is N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide is Cn1c(O)c(/N=N/C(=O)CNC(=O)C=Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is UERIJUJOIQKQFP-SPJYBIIYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-24-16-10-6-5-9-15(16)19(20(24)27)23-22-18(26)13-21-17(25)12-11-14-7-3-2-4-8-14/h2-12,27H,13H2,1H3,(H,21,25)/b12-11?,23-22+.
What are the key properties of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide?
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 362.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 3729136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).