N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide

C21H21N3O4 — CID 55463768

IUPACN'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)/C=C/c2ccccc2C#N)cc1
InChIInChI=1S/C21H21N3O4/c1-3-27-18-9-11-19(12-10-18)28-15(2)21(26)24-23-20(25)13-8-16-6-4-5-7-17(16)14-22/h4-13,15H,3H2,1-2H3,(H,23,25)(H,24,26)/b13-8+
InChIKeyLNRZQTQYQQETJF-MDWZMJQESA-N
MW379.42 g/mol
LogP2.59
Rot. Bonds7

About N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide

N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide (PubChem CID 55463768) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
PubChem CID55463768
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)/C=C/c2ccccc2C#N)cc1
InChIInChI=1S/C21H21N3O4/c1-3-27-18-9-11-19(12-10-18)28-15(2)21(26)24-23-20(25)13-8-16-6-4-5-7-17(16)14-22/h4-13,15H,3H2,1-2H3,(H,23,25)(H,24,26)/b13-8+
InChIKeyLNRZQTQYQQETJF-MDWZMJQESA-N
XLogP2.59
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.59
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

N'-[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55343881
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55343921
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9343640
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide
CID 9428471
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]propanehydrazide
CID 8960600
(2S)-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343247
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
3-ethoxy-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]benzohydrazide
CID 9294538
N'-[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55344133
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The IUPAC name of N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide (CID 55463768) is N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide.
What is the SMILES notation for N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The canonical SMILES for N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)/C=C/c2ccccc2C#N)cc1.
What is the InChIKey of N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The InChIKey is LNRZQTQYQQETJF-MDWZMJQESA-N. The full InChI is InChI=1S/C21H21N3O4/c1-3-27-18-9-11-19(12-10-18)28-15(2)21(26)24-23-20(25)13-8-16-6-4-5-7-17(16)14-22/h4-13,15H,3H2,1-2H3,(H,23,25)(H,24,26)/b13-8+.
What are the key properties of N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide has a molecular weight of 379.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide is sourced from PubChem (CID 55463768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).