N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide

C16H18N2O4 — CID 969127

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C16H18N2O4/c1-10-5-4-6-11(2)15(10)22-9-14(19)17-18-16(20)13-7-8-21-12(13)3/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyQHSZIOYWTAXXFQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.04
Rot. Bonds4

About N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide (PubChem CID 969127) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
PubChem CID969127
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C16H18N2O4/c1-10-5-4-6-11(2)15(10)22-9-14(19)17-18-16(20)13-7-8-21-12(13)3/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyQHSZIOYWTAXXFQ-UHFFFAOYSA-N
XLogP2.04
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-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 N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide (CID 969127) is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccoc1C.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is QHSZIOYWTAXXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-5-4-6-11(2)15(10)22-9-14(19)17-18-16(20)13-7-8-21-12(13)3/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 302.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 969127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).