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

C15H19N3O2 — CID 63585841

IUPAC5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1ccc(N(C)Cc2cc(C)c(C(=O)NN)o2)cc1
InChIInChI=1S/C15H19N3O2/c1-10-4-6-12(7-5-10)18(3)9-13-8-11(2)14(20-13)15(19)17-16/h4-8H,9,16H2,1-3H3,(H,17,19)
InChIKeyPAACIBVDQVHACK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.14
Rot. Bonds4

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

5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63585841) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide
PubChem CID63585841
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1ccc(N(C)Cc2cc(C)c(C(=O)NN)o2)cc1
InChIInChI=1S/C15H19N3O2/c1-10-4-6-12(7-5-10)18(3)9-13-8-11(2)14(20-13)15(19)17-16/h4-8H,9,16H2,1-3H3,(H,17,19)
InChIKeyPAACIBVDQVHACK-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': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide (CID 63585841) is 5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide is Cc1ccc(N(C)Cc2cc(C)c(C(=O)NN)o2)cc1.
What is the InChIKey of 5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is PAACIBVDQVHACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-4-6-12(7-5-10)18(3)9-13-8-11(2)14(20-13)15(19)17-16/h4-8H,9,16H2,1-3H3,(H,17,19).
What are the key properties of 5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide?
5-[(N,4-dimethylanilino)methyl]-3-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 5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63585841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).