5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide

C15H19N3O2 — CID 63585831

IUPAC5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)o1)c1ccc(C)cc1
InChIInChI=1S/C15H19N3O2/c1-3-18(12-6-4-11(2)5-7-12)10-13-8-9-14(20-13)15(19)17-16/h4-9H,3,10,16H2,1-2H3,(H,17,19)
InChIKeyXOSLMGGTYVNLRR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.22
Rot. Bonds5

About 5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide

5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide (PubChem CID 63585831) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide
PubChem CID63585831
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)o1)c1ccc(C)cc1
InChIInChI=1S/C15H19N3O2/c1-3-18(12-6-4-11(2)5-7-12)10-13-8-9-14(20-13)15(19)17-16/h4-9H,3,10,16H2,1-2H3,(H,17,19)
InChIKeyXOSLMGGTYVNLRR-UHFFFAOYSA-N
XLogP2.22
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.22
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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Related Compounds

5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
CID 63584129
5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63584169
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 63583745
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556
5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047933
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63583297
5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
CID 56807423
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide
CID 55215009
2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63583278

Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide (CID 63585831) is 5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide is CCN(Cc1ccc(C(=O)NN)o1)c1ccc(C)cc1.
What is the InChIKey of 5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide?
The InChIKey is XOSLMGGTYVNLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18(12-6-4-11(2)5-7-12)10-13-8-9-14(20-13)15(19)17-16/h4-9H,3,10,16H2,1-2H3,(H,17,19).
What are the key properties of 5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide?
5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide has a molecular weight of 273.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63585831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).