N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide

C10H14N2O4 — CID 47102396

IUPACN'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCOCC(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C10H14N2O4/c1-6-4-8(7(2)16-6)10(14)12-11-9(13)5-15-3/h4H,5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyJNCOORPXLFVALS-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.30
Rot. Bonds3

About N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide

N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 47102396) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
PubChem CID47102396
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCOCC(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C10H14N2O4/c1-6-4-8(7(2)16-6)10(14)12-11-9(13)5-15-3/h4H,5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyJNCOORPXLFVALS-UHFFFAOYSA-N
XLogP0.30
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.30
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-methoxyacetyl)-2,5-dimethylfuran-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

Related Compounds

N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 55332060
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725
2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
CID 9084950
N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468212
N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277099
N'-[2-(1-hydroxycyclopentyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 111536311
methyl 3-(2,5-dimethylfuran-3-yl)-3-oxopropanoate
CID 79679462
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9427814

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide (CID 47102396) is N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide is COCC(=O)NNC(=O)c1cc(C)oc1C.
What is the InChIKey of N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is JNCOORPXLFVALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-4-8(7(2)16-6)10(14)12-11-9(13)5-15-3/h4H,5H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide?
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 226.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 47102396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).