5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide

C12H21N3O4 — CID 63578022

IUPAC5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
SMILESCOCCN(CCOC)Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C12H21N3O4/c1-17-7-5-15(6-8-18-2)9-10-3-4-11(19-10)12(16)14-13/h3-4H,5-9,13H2,1-2H3,(H,14,16)
InChIKeyJOKXAUNKQYGWKB-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.02
Rot. Bonds9

About 5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide

5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide (PubChem CID 63578022) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
PubChem CID63578022
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
SMILESCOCCN(CCOC)Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C12H21N3O4/c1-17-7-5-15(6-8-18-2)9-10-3-4-11(19-10)12(16)14-13/h3-4H,5-9,13H2,1-2H3,(H,14,16)
InChIKeyJOKXAUNKQYGWKB-UHFFFAOYSA-N
XLogP-0.02
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
CID 55214616
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 63583745
2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63583278
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556
[5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol
CID 112548864
methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
CID 24715033
5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 55004839
5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde
CID 113372293
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63584169
5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide
CID 63585831

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide (CID 63578022) is 5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide is COCCN(CCOC)Cc1ccc(C(=O)NN)o1.
What is the InChIKey of 5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is JOKXAUNKQYGWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-17-7-5-15(6-8-18-2)9-10-3-4-11(19-10)12(16)14-13/h3-4H,5-9,13H2,1-2H3,(H,14,16).
What are the key properties of 5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide?
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 271.32 g/mol, XLogP of -0.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63578022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).