N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide

C19H20N2O4 — CID 2093036

IUPACN'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
SMILESO=C(NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c22-18(14-5-2-1-3-6-14)20-21-19(23)15-8-10-16(11-9-15)25-13-17-7-4-12-24-17/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyYFGQJRJJMSZDNG-QGZVFWFLSA-N
MW340.38 g/mol
LogP2.32
Rot. Bonds5

About N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide

N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide (PubChem CID 2093036) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
PubChem CID2093036
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
SMILESO=C(NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c22-18(14-5-2-1-3-6-14)20-21-19(23)15-8-10-16(11-9-15)25-13-17-7-4-12-24-17/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyYFGQJRJJMSZDNG-QGZVFWFLSA-N
XLogP2.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide?
The IUPAC name of N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide (CID 2093036) is N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide.
What is the SMILES notation for N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide?
The canonical SMILES for N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide is O=C(NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1.
What is the InChIKey of N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide?
The InChIKey is YFGQJRJJMSZDNG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(14-5-2-1-3-6-14)20-21-19(23)15-8-10-16(11-9-15)25-13-17-7-4-12-24-17/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)(H,21,23)/t17-/m1/s1.
What are the key properties of N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide?
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide has a molecular weight of 340.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide is sourced from PubChem (CID 2093036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).