N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide

C15H16N2O6 — CID 763461

IUPACN'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccco2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O6/c1-20-11-7-9(8-12(21-2)13(11)22-3)14(18)16-17-15(19)10-5-4-6-23-10/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyMMWMOYNUIBEXKE-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.38
Rot. Bonds5

About N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide

N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide (PubChem CID 763461) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide
PubChem CID763461
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccco2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O6/c1-20-11-7-9(8-12(21-2)13(11)22-3)14(18)16-17-15(19)10-5-4-6-23-10/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyMMWMOYNUIBEXKE-UHFFFAOYSA-N
XLogP1.38
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide (CID 763461) is N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide is COc1cc(C(=O)NNC(=O)c2ccco2)cc(OC)c1OC.
What is the InChIKey of N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide?
The InChIKey is MMWMOYNUIBEXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-20-11-7-9(8-12(21-2)13(11)22-3)14(18)16-17-15(19)10-5-4-6-23-10/h4-8H,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide?
N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide has a molecular weight of 320.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4,5-trimethoxybenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 763461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).