2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C16H15N3O6 — CID 6884223

IUPAC2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C16H15N3O6/c20-14(9-17-16(23)13-6-3-7-24-13)19-18-8-11-4-1-2-5-12(11)25-10-15(21)22/h1-8H,9-10H2,(H,17,23)(H,19,20)(H,21,22)/b18-8+
InChIKeyAVMXWCDUNURJJY-QGMBQPNBSA-N
MW345.31 g/mol
LogP0.62
Rot. Bonds8

About 2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6884223) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6884223
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C16H15N3O6/c20-14(9-17-16(23)13-6-3-7-24-13)19-18-8-11-4-1-2-5-12(11)25-10-15(21)22/h1-8H,9-10H2,(H,17,23)(H,19,20)(H,21,22)/b18-8+
InChIKeyAVMXWCDUNURJJY-QGMBQPNBSA-N
XLogP0.62
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 6884223) is 2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccco1.
What is the InChIKey of 2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is AVMXWCDUNURJJY-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H15N3O6/c20-14(9-17-16(23)13-6-3-7-24-13)19-18-8-11-4-1-2-5-12(11)25-10-15(21)22/h1-8H,9-10H2,(H,17,23)(H,19,20)(H,21,22)/b18-8+.
What are the key properties of 2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 345.31 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6884223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).