2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide

C14H17N3O2 — CID 63568687

IUPAC2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
SMILESCN(Cc1ccccc1)Cc1occc1C(=O)NN
InChIInChI=1S/C14H17N3O2/c1-17(9-11-5-3-2-4-6-11)10-13-12(7-8-19-13)14(18)16-15/h2-8H,9-10,15H2,1H3,(H,16,18)
InChIKeyFEXYKFTUXDFVGI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.52
Rot. Bonds5

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

2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide (PubChem CID 63568687) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
PubChem CID63568687
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
SMILESCN(Cc1ccccc1)Cc1occc1C(=O)NN
InChIInChI=1S/C14H17N3O2/c1-17(9-11-5-3-2-4-6-11)10-13-12(7-8-19-13)14(18)16-15/h2-8H,9-10,15H2,1H3,(H,16,18)
InChIKeyFEXYKFTUXDFVGI-UHFFFAOYSA-N
XLogP1.52
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63577745
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63584190
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63579482
2-[[methyl(pentyl)amino]methyl]furan-3-carbohydrazide
CID 63573089
2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63569034
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide
CID 63578917
2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
CID 63572172
2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide
CID 63580531
3-amino-1-benzyl-1-methylurea
CID 43163959

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide (CID 63568687) is 2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide is CN(Cc1ccccc1)Cc1occc1C(=O)NN.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is FEXYKFTUXDFVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(9-11-5-3-2-4-6-11)10-13-12(7-8-19-13)14(18)16-15/h2-8H,9-10,15H2,1H3,(H,16,18).
What are the key properties of 2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide?
2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 259.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63568687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).