(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide

C17H15N3O4 — CID 26888241

IUPAC(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C#N)o1
InChIInChI=1S/C17H15N3O4/c1-12-6-7-14(24-12)8-9-16(21)19-20-17(22)11-23-15-5-3-2-4-13(15)10-18/h2-9H,11H2,1H3,(H,19,21)(H,20,22)/b9-8+
InChIKeyJTOAFQZWSBEUIW-CMDGGOBGSA-N
MW325.32 g/mol
LogP1.70
Rot. Bonds5

About (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide

(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide (PubChem CID 26888241) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
PubChem CID26888241
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C#N)o1
InChIInChI=1S/C17H15N3O4/c1-12-6-7-14(24-12)8-9-16(21)19-20-17(22)11-23-15-5-3-2-4-13(15)10-18/h2-9H,11H2,1H3,(H,19,21)(H,20,22)/b9-8+
InChIKeyJTOAFQZWSBEUIW-CMDGGOBGSA-N
XLogP1.70
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9428386
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide
CID 9376055
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide
CID 75403349
(E)-N'-[2-(4-methoxyphenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
CID 6146665
3-(5-methylfuran-2-yl)-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]prop-2-enamide
CID 5188151
(E)-N-[(2-cyanophenyl)carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 922656
N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 24645668
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9140747
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
(E)-N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6295518
2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 909150
2-(2-cyanophenoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 47189935

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide (CID 26888241) is (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide is Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C#N)o1.
What is the InChIKey of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide?
The InChIKey is JTOAFQZWSBEUIW-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-12-6-7-14(24-12)8-9-16(21)19-20-17(22)11-23-15-5-3-2-4-13(15)10-18/h2-9H,11H2,1H3,(H,19,21)(H,20,22)/b9-8+.
What are the key properties of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide?
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide has a molecular weight of 325.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 26888241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).