3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide

C11H18N2O4 — CID 103490879

IUPAC3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide
SMILESCCOCC(C)OCc1ccoc1C(=O)NN
InChIInChI=1S/C11H18N2O4/c1-3-15-6-8(2)17-7-9-4-5-16-10(9)11(14)13-12/h4-5,8H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeySJEKCYGJWALPNT-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.82
Rot. Bonds7

About 3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide

3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide (PubChem CID 103490879) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide
PubChem CID103490879
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide
SMILESCCOCC(C)OCc1ccoc1C(=O)NN
InChIInChI=1S/C11H18N2O4/c1-3-15-6-8(2)17-7-9-4-5-16-10(9)11(14)13-12/h4-5,8H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeySJEKCYGJWALPNT-UHFFFAOYSA-N
XLogP0.82
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.82
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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Related Compounds

3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965
N-[[2-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 103490484
3-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63575637
3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide
CID 66227790
N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103490562
3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide
CID 63937801
3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide
CID 63576760
3-(ethoxymethyl)furan-2-carboxylic acid
CID 43153128
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
CID 81067916
3-[(dimethylamino)methyl]furan-2-carbohydrazide
CID 63571555
3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide
CID 55214365
3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide
CID 63576593

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide?
The IUPAC name of 3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide (CID 103490879) is 3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide?
The canonical SMILES for 3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide is CCOCC(C)OCc1ccoc1C(=O)NN.
What is the InChIKey of 3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide?
The InChIKey is SJEKCYGJWALPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-15-6-8(2)17-7-9-4-5-16-10(9)11(14)13-12/h4-5,8H,3,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide?
3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide has a molecular weight of 242.27 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 103490879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).