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

C15H16N2O4 — CID 932497

IUPAC2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C15H16N2O4/c1-10-5-3-4-6-13(10)21-9-14(18)16-17-15(19)12-7-8-20-11(12)2/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZKRGOJPBDGUQNO-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.74
Rot. Bonds4

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

2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide (PubChem CID 932497) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide
PubChem CID932497
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C15H16N2O4/c1-10-5-3-4-6-13(10)21-9-14(18)16-17-15(19)12-7-8-20-11(12)2/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZKRGOJPBDGUQNO-UHFFFAOYSA-N
XLogP1.74
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide (CID 932497) is 2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1ccoc1C.
What is the InChIKey of 2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide?
The InChIKey is ZKRGOJPBDGUQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-5-3-4-6-13(10)21-9-14(18)16-17-15(19)12-7-8-20-11(12)2/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide?
2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide has a molecular weight of 288.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 932497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).