(E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide

C23H21N5O4 — CID 2027081

IUPAC(E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCC(=O)/N=N/c1c(O)n(CCC#N)c2ccccc12
InChIInChI=1S/C23H21N5O4/c1-32-19-10-5-2-7-16(19)11-12-20(29)25-15-21(30)26-27-22-17-8-3-4-9-18(17)28(23(22)31)14-6-13-24/h2-5,7-12,31H,6,14-15H2,1H3,(H,25,29)/b12-11+,27-26+
InChIKeyRVCDFYMVKLAWTA-REPZBDRASA-N
MW431.45 g/mol
LogP3.71
Rot. Bonds8

About (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 2027081) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID2027081
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name(E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCC(=O)/N=N/c1c(O)n(CCC#N)c2ccccc12
InChIInChI=1S/C23H21N5O4/c1-32-19-10-5-2-7-16(19)11-12-20(29)25-15-21(30)26-27-22-17-8-3-4-9-18(17)28(23(22)31)14-6-13-24/h2-5,7-12,31H,6,14-15H2,1H3,(H,25,29)/b12-11+,27-26+
InChIKeyRVCDFYMVKLAWTA-REPZBDRASA-N
XLogP3.71
TPSA129.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3712818
(E)-N-[2-[(2-hydroxy-1-prop-2-enylindol-3-yl)diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 135437899
N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-4-methoxybenzamide
CID 2018731
4-chloro-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]benzamide
CID 2011516
methyl 2-[2-hydroxy-3-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]acetyl]diazenyl]indol-1-yl]acetate
CID 135648157
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 3729136
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide
CID 3605087
(E)-N-[2-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135526905
N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1390932
N-[2-[[1-[(3,4-dichlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3544064
N-[2-[(2-hydroxy-1-prop-2-enylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1393033
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 2027081) is (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)NCC(=O)/N=N/c1c(O)n(CCC#N)c2ccccc12.
What is the InChIKey of (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is RVCDFYMVKLAWTA-REPZBDRASA-N. The full InChI is InChI=1S/C23H21N5O4/c1-32-19-10-5-2-7-16(19)11-12-20(29)25-15-21(30)26-27-22-17-8-3-4-9-18(17)28(23(22)31)14-6-13-24/h2-5,7-12,31H,6,14-15H2,1H3,(H,25,29)/b12-11+,27-26+.
What are the key properties of (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 431.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2027081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).