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

C18H18N2O5 — CID 9366364

IUPAC5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(C)cc2)cc2c1OCCO2
InChIInChI=1S/C18H18N2O5/c1-11-3-5-12(6-4-11)17(21)19-20-18(22)13-9-14(23-2)16-15(10-13)24-7-8-25-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAMFHNTSKNRBQPC-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.85
Rot. Bonds3

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

5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide (PubChem CID 9366364) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide.

Molecular Properties

Compound Name5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
PubChem CID9366364
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(C)cc2)cc2c1OCCO2
InChIInChI=1S/C18H18N2O5/c1-11-3-5-12(6-4-11)17(21)19-20-18(22)13-9-14(23-2)16-15(10-13)24-7-8-25-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAMFHNTSKNRBQPC-UHFFFAOYSA-N
XLogP1.85
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
N-(4-carbamoylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777323
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
N-(4-iodophenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777302
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777048
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9374583
N-(3,3-dimethylbutan-2-yl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56805258
5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27787649
N-(5-chloro-2-methoxyphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777203
N-(2-adamantyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86906952

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The IUPAC name of 5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide (CID 9366364) is 5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide.
What is the SMILES notation for 5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The canonical SMILES for 5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide is COc1cc(C(=O)NNC(=O)c2ccc(C)cc2)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
The InChIKey is AMFHNTSKNRBQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-3-5-12(6-4-11)17(21)19-20-18(22)13-9-14(23-2)16-15(10-13)24-7-8-25-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide?
5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide has a molecular weight of 342.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide is sourced from PubChem (CID 9366364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).