(E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide

C19H18N2O3 — CID 5384886

IUPAC(E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C19H18N2O3/c22-17(11-10-14-6-2-1-3-7-14)20-13-12-19(24)15-8-4-5-9-16(15)21-18(19)23/h1-11,24H,12-13H2,(H,20,22)(H,21,23)/b11-10+
InChIKeyPIKKQBJTPYJQEK-ZHACJKMWSA-N
MW322.36 g/mol
LogP2.05
Rot. Bonds5

About (E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 5384886) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID5384886
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C19H18N2O3/c22-17(11-10-14-6-2-1-3-7-14)20-13-12-19(24)15-8-4-5-9-16(15)21-18(19)23/h1-11,24H,12-13H2,(H,20,22)(H,21,23)/b11-10+
InChIKeyPIKKQBJTPYJQEK-ZHACJKMWSA-N
XLogP2.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide (CID 5384886) is (E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of (E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is PIKKQBJTPYJQEK-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-17(11-10-14-6-2-1-3-7-14)20-13-12-19(24)15-8-4-5-9-16(15)21-18(19)23/h1-11,24H,12-13H2,(H,20,22)(H,21,23)/b11-10+.
What are the key properties of (E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 322.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 5384886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).