4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide

C12H21N3O3 — CID 113469239

IUPAC4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
SMILESCCN(CCCO)Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C12H21N3O3/c1-3-15(5-4-6-16)8-10-7-11(12(17)14-13)18-9(10)2/h7,16H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyVWQZWWOVRPVCLX-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.40
Rot. Bonds7

About 4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide

4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 113469239) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
PubChem CID113469239
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
SMILESCCN(CCCO)Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C12H21N3O3/c1-3-15(5-4-6-16)8-10-7-11(12(17)14-13)18-9(10)2/h7,16H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyVWQZWWOVRPVCLX-UHFFFAOYSA-N
XLogP0.40
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
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 4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide (CID 113469239) is 4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide is CCN(CCCO)Cc1cc(C(=O)NN)oc1C.
What is the InChIKey of 4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is VWQZWWOVRPVCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-15(5-4-6-16)8-10-7-11(12(17)14-13)18-9(10)2/h7,16H,3-6,8,13H2,1-2H3,(H,14,17).
What are the key properties of 4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 255.32 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 113469239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).