N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide

C17H20N2O5 — CID 7808964

IUPACN'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C17H20N2O5/c1-10-7-13(11(2)24-10)17(21)19-18-16(20)9-12-5-6-14(22-3)15(8-12)23-4/h5-8H,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyPNARIQHZJRFWNN-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.92
Rot. Bonds5

About N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 7808964) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID7808964
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC NameN'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C17H20N2O5/c1-10-7-13(11(2)24-10)17(21)19-18-16(20)9-12-5-6-14(22-3)15(8-12)23-4/h5-8H,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyPNARIQHZJRFWNN-UHFFFAOYSA-N
XLogP1.92
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(3,4-dimethoxyphenyl)acetyl]-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

2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
CID 9084950
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2-hydroxybenzohydrazide
CID 7535074
2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide
CID 39708207
N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 4308006
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9427814
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 9277093
N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219844
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 31331971
N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2677212

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide (CID 7808964) is N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide is COc1ccc(CC(=O)NNC(=O)c2cc(C)oc2C)cc1OC.
What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is PNARIQHZJRFWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-10-7-13(11(2)24-10)17(21)19-18-16(20)9-12-5-6-14(22-3)15(8-12)23-4/h5-8H,9H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 332.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 7808964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).