2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide

C17H20N2O4 — CID 7478939

IUPAC2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCCOc2ccccc2)c(C)o1
InChIInChI=1S/C17H20N2O4/c1-12-11-15(13(2)23-12)17(21)19-18-16(20)9-6-10-22-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFBQYHCFIWQCFCN-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.52
Rot. Bonds6

About 2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide

2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide (PubChem CID 7478939) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide
PubChem CID7478939
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCCOc2ccccc2)c(C)o1
InChIInChI=1S/C17H20N2O4/c1-12-11-15(13(2)23-12)17(21)19-18-16(20)9-6-10-22-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFBQYHCFIWQCFCN-UHFFFAOYSA-N
XLogP2.52
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide (CID 7478939) is 2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CCCOc2ccccc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide?
The InChIKey is FBQYHCFIWQCFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-11-15(13(2)23-12)17(21)19-18-16(20)9-6-10-22-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide?
2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide has a molecular weight of 316.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide is sourced from PubChem (CID 7478939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).