N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide

C18H16N4O5 — CID 137105715

IUPACN'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide
SMILESNC(=O)C(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2ccccc21)c1ccccc1O
InChIInChI=1S/C18H16N4O5/c19-15(24)16(25)22-21-13(10-5-1-4-8-14(10)23)9-18(27)11-6-2-3-7-12(11)20-17(18)26/h1-8,23,27H,9H2,(H2,19,24)(H,20,26)(H,22,25)/b21-13+/t18-/m0/s1
InChIKeyXIMHUGQEWWUHAE-LANLRWRYSA-N
MW368.35 g/mol
LogP-0.07
Rot. Bonds4

About N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide

N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide (PubChem CID 137105715) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide.

Molecular Properties

Compound NameN'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide
PubChem CID137105715
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide
SMILESNC(=O)C(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2ccccc21)c1ccccc1O
InChIInChI=1S/C18H16N4O5/c19-15(24)16(25)22-21-13(10-5-1-4-8-14(10)23)9-18(27)11-6-2-3-7-12(11)20-17(18)26/h1-8,23,27H,9H2,(H2,19,24)(H,20,26)(H,22,25)/b21-13+/t18-/m0/s1
InChIKeyXIMHUGQEWWUHAE-LANLRWRYSA-N
XLogP-0.07
TPSA154.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide?
The IUPAC name of N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide (CID 137105715) is N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide.
What is the SMILES notation for N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide?
The canonical SMILES for N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide is NC(=O)C(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2ccccc21)c1ccccc1O.
What is the InChIKey of N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide?
The InChIKey is XIMHUGQEWWUHAE-LANLRWRYSA-N. The full InChI is InChI=1S/C18H16N4O5/c19-15(24)16(25)22-21-13(10-5-1-4-8-14(10)23)9-18(27)11-6-2-3-7-12(11)20-17(18)26/h1-8,23,27H,9H2,(H2,19,24)(H,20,26)(H,22,25)/b21-13+/t18-/m0/s1.
What are the key properties of N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide?
N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide has a molecular weight of 368.35 g/mol, XLogP of -0.07, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(2-hydroxyphenyl)ethylidene]amino]oxamide is sourced from PubChem (CID 137105715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).