N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide

C21H20N4O3 — CID 3788317

IUPACN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESCCn1c(O)c(/N=N/C(=O)C2C(=O)NCC2c2ccccc2)c2ccccc21
InChIInChI=1S/C21H20N4O3/c1-2-25-16-11-7-6-10-14(16)18(21(25)28)23-24-20(27)17-15(12-22-19(17)26)13-8-4-3-5-9-13/h3-11,15,17,28H,2,12H2,1H3,(H,22,26)/b24-23+
InChIKeyYJBJSDQZROZADX-WCWDXBQESA-N
MW376.42 g/mol
LogP3.51
Rot. Bonds4

About N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide

N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide (PubChem CID 3788317) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide
PubChem CID3788317
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESCCn1c(O)c(/N=N/C(=O)C2C(=O)NCC2c2ccccc2)c2ccccc21
InChIInChI=1S/C21H20N4O3/c1-2-25-16-11-7-6-10-14(16)18(21(25)28)23-24-20(27)17-15(12-22-19(17)26)13-8-4-3-5-9-13/h3-11,15,17,28H,2,12H2,1H3,(H,22,26)/b24-23+
InChIKeyYJBJSDQZROZADX-WCWDXBQESA-N
XLogP3.51
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-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-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide (CID 3788317) is N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide is CCn1c(O)c(/N=N/C(=O)C2C(=O)NCC2c2ccccc2)c2ccccc21.
What is the InChIKey of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is YJBJSDQZROZADX-WCWDXBQESA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-25-16-11-7-6-10-14(16)18(21(25)28)23-24-20(27)17-15(12-22-19(17)26)13-8-4-3-5-9-13/h3-11,15,17,28H,2,12H2,1H3,(H,22,26)/b24-23+.
What are the key properties of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide?
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-oxo-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3788317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).