N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C19H20N2O7 — CID 2476387

IUPACN'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC
InChIInChI=1S/C19H20N2O7/c1-24-15-9-12(10-16(25-2)17(15)26-3)19(23)21-20-18(22)11-4-5-13-14(8-11)28-7-6-27-13/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXOPMZFDQTCWRFC-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.56
Rot. Bonds5

About N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (PubChem CID 2476387) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
PubChem CID2476387
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC NameN'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC
InChIInChI=1S/C19H20N2O7/c1-24-15-9-12(10-16(25-2)17(15)26-3)19(23)21-20-18(22)11-4-5-13-14(8-11)28-7-6-27-13/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXOPMZFDQTCWRFC-UHFFFAOYSA-N
XLogP1.56
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9273653
N'-(3,4,5-trimethoxy-2-nitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55454886
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 4789782
N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47129790
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9366364
N'-(3,5-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275269
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 6028855
N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide
CID 2469632
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-cyclopropyl-5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-2-methoxybenzenesulfonamide
CID 55455159
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401144

Frequently Asked Questions

What is the IUPAC name of N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The IUPAC name of N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (CID 2476387) is N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.
What is the SMILES notation for N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The canonical SMILES for N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is COc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC.
What is the InChIKey of N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The InChIKey is XOPMZFDQTCWRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-24-15-9-12(10-16(25-2)17(15)26-3)19(23)21-20-18(22)11-4-5-13-14(8-11)28-7-6-27-13/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide has a molecular weight of 388.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is sourced from PubChem (CID 2476387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).