N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide

C21H18N2O5 — CID 9400552

IUPACN'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H18N2O5/c24-20(11-8-16-7-10-17(28-16)14-4-2-1-3-5-14)22-23-21(25)15-6-9-18-19(12-15)27-13-26-18/h1-7,9-10,12H,8,11,13H2,(H,22,24)(H,23,25)
InChIKeyVIUQAJMYDOHQJE-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.07
Rot. Bonds5

About N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide

N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 9400552) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID9400552
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H18N2O5/c24-20(11-8-16-7-10-17(28-16)14-4-2-1-3-5-14)22-23-21(25)15-6-9-18-19(12-15)27-13-26-18/h1-7,9-10,12H,8,11,13H2,(H,22,24)(H,23,25)
InChIKeyVIUQAJMYDOHQJE-UHFFFAOYSA-N
XLogP3.07
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.07
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

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55747609
N'-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 39714352
4-ethoxy-3-methoxy-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9439850
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 4789720
N'-[3-(5-phenylfuran-2-yl)propanoyl]pyridine-3-carbohydrazide
CID 51157515
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39761126
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 4796127
4-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 18159216
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
1-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-3-benzylurea
CID 24559575
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 8624242
N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9084711

Frequently Asked Questions

What is the IUPAC name of N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide (CID 9400552) is N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide is O=C(CCc1ccc(-c2ccccc2)o1)NNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is VIUQAJMYDOHQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-20(11-8-16-7-10-17(28-16)14-4-2-1-3-5-14)22-23-21(25)15-6-9-18-19(12-15)27-13-26-18/h1-7,9-10,12H,8,11,13H2,(H,22,24)(H,23,25).
What are the key properties of N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 378.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 9400552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).