2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide

C15H19N3O3 — CID 63584190

IUPAC2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
SMILESCOc1ccc(CN(C)Cc2occc2C(=O)NN)cc1
InChIInChI=1S/C15H19N3O3/c1-18(9-11-3-5-12(20-2)6-4-11)10-14-13(7-8-21-14)15(19)17-16/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyCOSPYDJMDOZGRA-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.52
Rot. Bonds6

About 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide

2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide (PubChem CID 63584190) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
PubChem CID63584190
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
SMILESCOc1ccc(CN(C)Cc2occc2C(=O)NN)cc1
InChIInChI=1S/C15H19N3O3/c1-18(9-11-3-5-12(20-2)6-4-11)10-14-13(7-8-21-14)15(19)17-16/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyCOSPYDJMDOZGRA-UHFFFAOYSA-N
XLogP1.52
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide with MolForge

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Related Compounds

2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
CID 63568687
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63579482
[3-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-2-yl]methanamine
CID 62436265
2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate
CID 78836764
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63569034
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]furan-3-carbohydrazide
CID 63585303
2-[2-(2-methoxyethoxy)ethoxymethyl]furan-3-carbohydrazide
CID 104567494
1-[(4-methoxyphenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79396292
ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate
CID 18278042
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide (CID 63584190) is 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide is COc1ccc(CN(C)Cc2occc2C(=O)NN)cc1.
What is the InChIKey of 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
The InChIKey is COSPYDJMDOZGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18(9-11-3-5-12(20-2)6-4-11)10-14-13(7-8-21-14)15(19)17-16/h3-8H,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide has a molecular weight of 289.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63584190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).