2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide

C16H18N2O4 — CID 2564796

IUPAC2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide
SMILESCc1cccc(OCCC(=O)NNC(=O)c2ccoc2C)c1
InChIInChI=1S/C16H18N2O4/c1-11-4-3-5-13(10-11)22-9-7-15(19)17-18-16(20)14-6-8-21-12(14)2/h3-6,8,10H,7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLJXMHDRAHNJYTO-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.13
Rot. Bonds5

About 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide

2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide (PubChem CID 2564796) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide
PubChem CID2564796
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide
SMILESCc1cccc(OCCC(=O)NNC(=O)c2ccoc2C)c1
InChIInChI=1S/C16H18N2O4/c1-11-4-3-5-13(10-11)22-9-7-15(19)17-18-16(20)14-6-8-21-12(14)2/h3-6,8,10H,7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLJXMHDRAHNJYTO-UHFFFAOYSA-N
XLogP2.13
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-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 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide (CID 2564796) is 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide is Cc1cccc(OCCC(=O)NNC(=O)c2ccoc2C)c1.
What is the InChIKey of 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide?
The InChIKey is LJXMHDRAHNJYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-4-3-5-13(10-11)22-9-7-15(19)17-18-16(20)14-6-8-21-12(14)2/h3-6,8,10H,7,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide?
2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide has a molecular weight of 302.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide is sourced from PubChem (CID 2564796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).