3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide

C12H21N3O3 — CID 81067916

IUPAC3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
SMILESCC(C)OCCN(C)Cc1ccoc1C(=O)NN
InChIInChI=1S/C12H21N3O3/c1-9(2)17-7-5-15(3)8-10-4-6-18-11(10)12(16)14-13/h4,6,9H,5,7-8,13H2,1-3H3,(H,14,16)
InChIKeyLBVBQTXXVGTFQJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.74
Rot. Bonds7

About 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide

3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide (PubChem CID 81067916) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
PubChem CID81067916
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
SMILESCC(C)OCCN(C)Cc1ccoc1C(=O)NN
InChIInChI=1S/C12H21N3O3/c1-9(2)17-7-5-15(3)8-10-4-6-18-11(10)12(16)14-13/h4,6,9H,5,7-8,13H2,1-3H3,(H,14,16)
InChIKeyLBVBQTXXVGTFQJ-UHFFFAOYSA-N
XLogP0.74
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.74
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'}

Analyze 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-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

3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965
3-[(dimethylamino)methyl]furan-2-carbohydrazide
CID 63571555
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzohydrazide
CID 81068442
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62011256
3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
CID 63571598
methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate
CID 62688268
3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 112666648
3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide
CID 103490879
3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 79494200
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63572264
3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide
CID 66227790

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide (CID 81067916) is 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide is CC(C)OCCN(C)Cc1ccoc1C(=O)NN.
What is the InChIKey of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is LBVBQTXXVGTFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9(2)17-7-5-15(3)8-10-4-6-18-11(10)12(16)14-13/h4,6,9H,5,7-8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide?
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 255.32 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 81067916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).