N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide

C15H16N2O4 — CID 876401

IUPACN'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccco2)c(C)c1
InChIInChI=1S/C15H16N2O4/c1-10-5-6-12(11(2)8-10)21-9-14(18)16-17-15(19)13-4-3-7-20-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXCRRQKQXDXLWID-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.74
Rot. Bonds4

About N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide

N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide (PubChem CID 876401) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide
PubChem CID876401
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccco2)c(C)c1
InChIInChI=1S/C15H16N2O4/c1-10-5-6-12(11(2)8-10)21-9-14(18)16-17-15(19)13-4-3-7-20-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXCRRQKQXDXLWID-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 N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide (CID 876401) is N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2ccco2)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide?
The InChIKey is XCRRQKQXDXLWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-5-6-12(11(2)8-10)21-9-14(18)16-17-15(19)13-4-3-7-20-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide?
N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-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 N'-[2-(2,4-dimethylphenoxy)acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 876401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).