[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

C18H19N3O5 — CID 7602415

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)NNC(=O)c1ccccc1
InChIInChI=1S/C18H19N3O5/c22-11-10-19-15-9-5-4-8-14(15)18(25)26-12-16(23)20-21-17(24)13-6-2-1-3-7-13/h1-9,19,22H,10-12H2,(H,20,23)(H,21,24)
InChIKeyYYPJHDVOQKTCAX-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.71
Rot. Bonds7

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7602415) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7602415
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)NNC(=O)c1ccccc1
InChIInChI=1S/C18H19N3O5/c22-11-10-19-15-9-5-4-8-14(15)18(25)26-12-16(23)20-21-17(24)13-6-2-1-3-7-13/h1-9,19,22H,10-12H2,(H,20,23)(H,21,24)
InChIKeyYYPJHDVOQKTCAX-UHFFFAOYSA-N
XLogP0.71
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602381
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603228
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602411
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602320
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 40955708
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602816
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 2386420
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515323
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 24653005
[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602317
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-tert-butylbenzoate
CID 2489555

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (CID 7602415) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is O=C(COC(=O)c1ccccc1NCCO)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is YYPJHDVOQKTCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-11-10-19-15-9-5-4-8-14(15)18(25)26-12-16(23)20-21-17(24)13-6-2-1-3-7-13/h1-9,19,22H,10-12H2,(H,20,23)(H,21,24).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 357.37 g/mol, XLogP of 0.71, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7602415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).