N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide

C18H21N3O5 — CID 3101329

IUPACN-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCOc1cccc(OCC(=O)NN=C(C)CC(=O)NCc2ccco2)c1
InChIInChI=1S/C18H21N3O5/c1-13(9-17(22)19-11-16-7-4-8-25-16)20-21-18(23)12-26-15-6-3-5-14(10-15)24-2/h3-8,10H,9,11-12H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyBHIVMLFUMHLZLU-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.87
Rot. Bonds9

About N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide

N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide (PubChem CID 3101329) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
PubChem CID3101329
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCOc1cccc(OCC(=O)NN=C(C)CC(=O)NCc2ccco2)c1
InChIInChI=1S/C18H21N3O5/c1-13(9-17(22)19-11-16-7-4-8-25-16)20-21-18(23)12-26-15-6-3-5-14(10-15)24-2/h3-8,10H,9,11-12H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyBHIVMLFUMHLZLU-UHFFFAOYSA-N
XLogP1.87
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide (CID 3101329) is N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide is COc1cccc(OCC(=O)NN=C(C)CC(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
The InChIKey is BHIVMLFUMHLZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-13(9-17(22)19-11-16-7-4-8-25-16)20-21-18(23)12-26-15-6-3-5-14(10-15)24-2/h3-8,10H,9,11-12H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide has a molecular weight of 359.38 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 3101329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).