2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide

C14H24N4O3 — CID 63577547

IUPAC2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1cc(C)c(C(=O)NN)o1
InChIInChI=1S/C14H24N4O3/c1-5-6-18(9-12(19)17(3)4)8-11-7-10(2)13(21-11)14(20)16-15/h7H,5-6,8-9,15H2,1-4H3,(H,16,20)
InChIKeyVFOPZZDOPSKGPK-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.49
Rot. Bonds7

About 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide

2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide (PubChem CID 63577547) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide
PubChem CID63577547
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1cc(C)c(C(=O)NN)o1
InChIInChI=1S/C14H24N4O3/c1-5-6-18(9-12(19)17(3)4)8-11-7-10(2)13(21-11)14(20)16-15/h7H,5-6,8-9,15H2,1-4H3,(H,16,20)
InChIKeyVFOPZZDOPSKGPK-UHFFFAOYSA-N
XLogP0.49
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide (CID 63577547) is 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)Cc1cc(C)c(C(=O)NN)o1.
What is the InChIKey of 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is VFOPZZDOPSKGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-6-18(9-12(19)17(3)4)8-11-7-10(2)13(21-11)14(20)16-15/h7H,5-6,8-9,15H2,1-4H3,(H,16,20).
What are the key properties of 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide?
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 296.37 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 63577547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).