N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide

C19H20N2O6 — CID 9400933

IUPACN'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCOc1ccc(OCCCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H20N2O6/c1-24-14-5-7-15(8-6-14)25-10-2-3-18(22)20-21-19(23)13-4-9-16-17(11-13)27-12-26-16/h4-9,11H,2-3,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyBDZNOOGKKFFEJP-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.04
Rot. Bonds7

About N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide

N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 9400933) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID9400933
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC NameN'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCOc1ccc(OCCCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H20N2O6/c1-24-14-5-7-15(8-6-14)25-10-2-3-18(22)20-21-19(23)13-4-9-16-17(11-13)27-12-26-16/h4-9,11H,2-3,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyBDZNOOGKKFFEJP-UHFFFAOYSA-N
XLogP2.04
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 13263263
4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide
CID 47091237
N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 18106344
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39761126
N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113099800
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6255410
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

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide (CID 9400933) is N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide is COc1ccc(OCCCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is BDZNOOGKKFFEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-24-14-5-7-15(8-6-14)25-10-2-3-18(22)20-21-19(23)13-4-9-16-17(11-13)27-12-26-16/h4-9,11H,2-3,10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 372.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 9400933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).