5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide

C15H19N3O3 — CID 63578444

IUPAC5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
SMILESCOc1cccc(CN(C)Cc2ccc(C(=O)NN)o2)c1
InChIInChI=1S/C15H19N3O3/c1-18(9-11-4-3-5-12(8-11)20-2)10-13-6-7-14(21-13)15(19)17-16/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyHLDVVJDFYICJFA-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.52
Rot. Bonds6

About 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide

5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide (PubChem CID 63578444) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
PubChem CID63578444
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
SMILESCOc1cccc(CN(C)Cc2ccc(C(=O)NN)o2)c1
InChIInChI=1S/C15H19N3O3/c1-18(9-11-4-3-5-12(8-11)20-2)10-13-6-7-14(21-13)15(19)17-16/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyHLDVVJDFYICJFA-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'}

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Related Compounds

5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63585765
5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63583297
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid
CID 167884511
2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63583278
[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62412644
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 79763885
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide (CID 63578444) is 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide is COc1cccc(CN(C)Cc2ccc(C(=O)NN)o2)c1.
What is the InChIKey of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide?
The InChIKey is HLDVVJDFYICJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18(9-11-4-3-5-12(8-11)20-2)10-13-6-7-14(21-13)15(19)17-16/h3-8H,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide?
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-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 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63578444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).