(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide

C20H19N3O3 — CID 9376055

IUPAC(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide
SMILESCCc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C#N)cc1
InChIInChI=1S/C20H19N3O3/c1-2-15-7-9-16(10-8-15)11-12-19(24)22-23-20(25)14-26-18-6-4-3-5-17(18)13-21/h3-12H,2,14H2,1H3,(H,22,24)(H,23,25)/b12-11+
InChIKeyFCRVRWOBRYYBCI-VAWYXSNFSA-N
MW349.39 g/mol
LogP2.36
Rot. Bonds6

About (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide

(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide (PubChem CID 9376055) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide
PubChem CID9376055
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide
SMILESCCc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C#N)cc1
InChIInChI=1S/C20H19N3O3/c1-2-15-7-9-16(10-8-15)11-12-19(24)22-23-20(25)14-26-18-6-4-3-5-17(18)13-21/h3-12H,2,14H2,1H3,(H,22,24)(H,23,25)/b12-11+
InChIKeyFCRVRWOBRYYBCI-VAWYXSNFSA-N
XLogP2.36
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,6-difluorophenyl)prop-2-enehydrazide
CID 75403349
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
CID 26888241
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471919
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9428386
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide
CID 17227225
(E)-N'-[2-(2-butan-2-ylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187004
(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 17343908
2-(2-cyanophenoxy)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 75407306
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
CID 9470192
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 6182233
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide (CID 9376055) is (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide is CCc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C#N)cc1.
What is the InChIKey of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide?
The InChIKey is FCRVRWOBRYYBCI-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-15-7-9-16(10-8-15)11-12-19(24)22-23-20(25)14-26-18-6-4-3-5-17(18)13-21/h3-12H,2,14H2,1H3,(H,22,24)(H,23,25)/b12-11+.
What are the key properties of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide?
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide has a molecular weight of 349.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 9376055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).