bis(2-benzylhydrazinyl) oxalate

C16H18N4O4 — CID 66992005

IUPACbis(2-benzylhydrazinyl) oxalate
SMILESO=C(ONNCc1ccccc1)C(=O)ONNCc1ccccc1
InChIInChI=1S/C16H18N4O4/c21-15(23-19-17-11-13-7-3-1-4-8-13)16(22)24-20-18-12-14-9-5-2-6-10-14/h1-10,17-20H,11-12H2
InChIKeyZRAMUVVZRJCMGO-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.49
Rot. Bonds8

About bis(2-benzylhydrazinyl) oxalate

bis(2-benzylhydrazinyl) oxalate (PubChem CID 66992005) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is bis(2-benzylhydrazinyl) oxalate.

Molecular Properties

Compound Namebis(2-benzylhydrazinyl) oxalate
PubChem CID66992005
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namebis(2-benzylhydrazinyl) oxalate
SMILESO=C(ONNCc1ccccc1)C(=O)ONNCc1ccccc1
InChIInChI=1S/C16H18N4O4/c21-15(23-19-17-11-13-7-3-1-4-8-13)16(22)24-20-18-12-14-9-5-2-6-10-14/h1-10,17-20H,11-12H2
InChIKeyZRAMUVVZRJCMGO-UHFFFAOYSA-N
XLogP0.49
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(benzylamino) hexanedioate
CID 90108260
azane;(benzylamino) 2-phenylacetate
CID 174695749
N'-benzyl-2-methylprop-2-enehydrazide
CID 175049559
methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate
CID 139453472
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
tert-butyl N-(2-benzylhydrazinyl)carbamate
CID 69172873
(2R)-N'-benzyl-2-phenoxypropanehydrazide
CID 93092168
N-benzylhydroxylamine;formaldehyde
CID 87671632
benzene;benzylurea;hydrazine
CID 68793593
dimethyl 2-(benzylamino)propanedioate
CID 562185
benzene;ethyl N-benzylcarbamate
CID 67715166
N'-benzyloxamide
CID 561416

Frequently Asked Questions

What is the IUPAC name of bis(2-benzylhydrazinyl) oxalate?
The IUPAC name of bis(2-benzylhydrazinyl) oxalate (CID 66992005) is bis(2-benzylhydrazinyl) oxalate.
What is the SMILES notation for bis(2-benzylhydrazinyl) oxalate?
The canonical SMILES for bis(2-benzylhydrazinyl) oxalate is O=C(ONNCc1ccccc1)C(=O)ONNCc1ccccc1.
What is the InChIKey of bis(2-benzylhydrazinyl) oxalate?
The InChIKey is ZRAMUVVZRJCMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-15(23-19-17-11-13-7-3-1-4-8-13)16(22)24-20-18-12-14-9-5-2-6-10-14/h1-10,17-20H,11-12H2.
What are the key properties of bis(2-benzylhydrazinyl) oxalate?
bis(2-benzylhydrazinyl) oxalate has a molecular weight of 330.34 g/mol, XLogP of 0.49, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzylhydrazinyl) oxalate is sourced from PubChem (CID 66992005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).