4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide

C15H19N3O2 — CID 63584013

IUPAC4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1ccccc1N(C)Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C15H19N3O2/c1-10-6-4-5-7-13(10)18(3)9-12-8-14(15(19)17-16)20-11(12)2/h4-8H,9,16H2,1-3H3,(H,17,19)
InChIKeyAJHDAVBZUSBAIF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.14
Rot. Bonds4

About 4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide

4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63584013) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63584013
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1ccccc1N(C)Cc1cc(C(=O)NN)oc1C
InChIInChI=1S/C15H19N3O2/c1-10-6-4-5-7-13(10)18(3)9-12-8-14(15(19)17-16)20-11(12)2/h4-8H,9,16H2,1-3H3,(H,17,19)
InChIKeyAJHDAVBZUSBAIF-UHFFFAOYSA-N
XLogP2.14
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.14
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

4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63585085
5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide
CID 63571436
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63570132
4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
CID 63572307
4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63572329
5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
CID 63582957
5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573240
4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63586474
4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 113469239
4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 55212421

Frequently Asked Questions

What is the IUPAC name of 4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide (CID 63584013) is 4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide is Cc1ccccc1N(C)Cc1cc(C(=O)NN)oc1C.
What is the InChIKey of 4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is AJHDAVBZUSBAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-6-4-5-7-13(10)18(3)9-12-8-14(15(19)17-16)20-11(12)2/h4-8H,9,16H2,1-3H3,(H,17,19).
What are the key properties of 4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide?
4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 273.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63584013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).