4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide

C15H19N3O2 — CID 63585085

IUPAC4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1cccc(N(C)Cc2cc(C(=O)NN)oc2C)c1
InChIInChI=1S/C15H19N3O2/c1-10-5-4-6-13(7-10)18(3)9-12-8-14(15(19)17-16)20-11(12)2/h4-8H,9,16H2,1-3H3,(H,17,19)
InChIKeyLTKZXXLHRZKKHC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.14
Rot. Bonds4

About 4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide

4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63585085) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63585085
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1cccc(N(C)Cc2cc(C(=O)NN)oc2C)c1
InChIInChI=1S/C15H19N3O2/c1-10-5-4-6-13(7-10)18(3)9-12-8-14(15(19)17-16)20-11(12)2/h4-8H,9,16H2,1-3H3,(H,17,19)
InChIKeyLTKZXXLHRZKKHC-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,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63584013
2-[(N,3-dimethylanilino)methyl]benzohydrazide
CID 63585084
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62435677
5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63581065
5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide
CID 63571436
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63583297
4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63570132
5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573240
4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
CID 63572307
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62434975

Frequently Asked Questions

What is the IUPAC name of 4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide (CID 63585085) is 4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide is Cc1cccc(N(C)Cc2cc(C(=O)NN)oc2C)c1.
What is the InChIKey of 4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is LTKZXXLHRZKKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-5-4-6-13(7-10)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,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide?
4-[(N,3-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,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63585085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).