N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide

C18H19N3O5 — CID 3538521

IUPACN'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CON=Cc2ccccc2)cc1OC
InChIInChI=1S/C18H19N3O5/c1-24-15-9-8-14(10-16(15)25-2)18(23)21-20-17(22)12-26-19-11-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHOSJQQXWNMAEKR-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.52
Rot. Bonds7

About N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide

N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide (PubChem CID 3538521) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide
PubChem CID3538521
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CON=Cc2ccccc2)cc1OC
InChIInChI=1S/C18H19N3O5/c1-24-15-9-8-14(10-16(15)25-2)18(23)21-20-17(22)12-26-19-11-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHOSJQQXWNMAEKR-UHFFFAOYSA-N
XLogP1.52
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7644043
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 3283240
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
methyl 4-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethoxy]iminomethyl]benzoate
CID 2110077
3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide
CID 55833812
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928308
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide (CID 3538521) is N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)CON=Cc2ccccc2)cc1OC.
What is the InChIKey of N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is HOSJQQXWNMAEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-24-15-9-8-14(10-16(15)25-2)18(23)21-20-17(22)12-26-19-11-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide?
N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 357.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 3538521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).