5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide

C20H22N2O8 — CID 9273653

IUPAC5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(OC)c3c(c2)OCCO3)cc(OC)c1OC
InChIInChI=1S/C20H22N2O8/c1-25-13-7-11(8-14(26-2)17(13)28-4)19(23)21-22-20(24)12-9-15(27-3)18-16(10-12)29-5-6-30-18/h7-10H,5-6H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyUKNZHNYVHZPKGU-UHFFFAOYSA-N
MW418.40 g/mol
LogP1.57
Rot. Bonds6

About 5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide

5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide (PubChem CID 9273653) has the molecular formula C20H22N2O8 and a molecular weight of 418.40 g/mol. Its IUPAC name is 5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide.

Molecular Properties

Compound Name5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
PubChem CID9273653
Molecular FormulaC20H22N2O8
Molecular Weight418.40 g/mol
Exact Mass418.14
IUPAC Name5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(OC)c3c(c2)OCCO3)cc(OC)c1OC
InChIInChI=1S/C20H22N2O8/c1-25-13-7-11(8-14(26-2)17(13)28-4)19(23)21-22-20(24)12-9-15(27-3)18-16(10-12)29-5-6-30-18/h7-10H,5-6H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyUKNZHNYVHZPKGU-UHFFFAOYSA-N
XLogP1.57
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9366364
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777048
N-(3,3-dimethylbutan-2-yl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56805258
N-(2-adamantyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86906952
N-[2-(ethylamino)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119509241
N-(4-iodophenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777302
methyl 5-hydroxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate;methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 160726810
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]thiourea
CID 11937262
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
N-(4-carbamoylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777323

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The IUPAC name of 5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide (CID 9273653) is 5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide.
What is the SMILES notation for 5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The canonical SMILES for 5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cc(OC)c3c(c2)OCCO3)cc(OC)c1OC.
What is the InChIKey of 5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The InChIKey is UKNZHNYVHZPKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O8/c1-25-13-7-11(8-14(26-2)17(13)28-4)19(23)21-22-20(24)12-9-15(27-3)18-16(10-12)29-5-6-30-18/h7-10H,5-6H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide has a molecular weight of 418.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide is sourced from PubChem (CID 9273653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).