N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide

C18H16N2O6 — CID 19034276

IUPACN-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)N(N)C2(O)C(=O)c3ccccc3C2=O)cc1OC
InChIInChI=1S/C18H16N2O6/c1-25-13-8-7-10(9-14(13)26-2)17(23)20(19)18(24)15(21)11-5-3-4-6-12(11)16(18)22/h3-9,24H,19H2,1-2H3
InChIKeyHNBPXLPAODCQSD-UHFFFAOYSA-N
MW356.33 g/mol
LogP0.79
Rot. Bonds4

About N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide

N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide (PubChem CID 19034276) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide
PubChem CID19034276
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC NameN-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)N(N)C2(O)C(=O)c3ccccc3C2=O)cc1OC
InChIInChI=1S/C18H16N2O6/c1-25-13-8-7-10(9-14(13)26-2)17(23)20(19)18(24)15(21)11-5-3-4-6-12(11)16(18)22/h3-9,24H,19H2,1-2H3
InChIKeyHNBPXLPAODCQSD-UHFFFAOYSA-N
XLogP0.79
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
3-methoxy-N,N-dimethyl-4-(2-methylphenyl)benzamide
CID 144693423
N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide
CID 4923492
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947880
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 51092161
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
CID 23276721
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
[amino-(3,4-dimethoxyphenyl)methylidene]-benzoyloxyazanium
CID 4086386

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide?
The IUPAC name of N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide (CID 19034276) is N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)N(N)C2(O)C(=O)c3ccccc3C2=O)cc1OC.
What is the InChIKey of N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide?
The InChIKey is HNBPXLPAODCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-25-13-8-7-10(9-14(13)26-2)17(23)20(19)18(24)15(21)11-5-3-4-6-12(11)16(18)22/h3-9,24H,19H2,1-2H3.
What are the key properties of N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide?
N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide has a molecular weight of 356.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 19034276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).