(E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide

C20H22N2O4 — CID 26901654

IUPAC(E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide
SMILESCCOc1ccccc1/C=C/C(=O)NNC(=O)COc1cccc(C)c1
InChIInChI=1S/C20H22N2O4/c1-3-25-18-10-5-4-8-16(18)11-12-19(23)21-22-20(24)14-26-17-9-6-7-15(2)13-17/h4-13H,3,14H2,1-2H3,(H,21,23)(H,22,24)/b12-11+
InChIKeyOAWWRMIJQSIRIJ-VAWYXSNFSA-N
MW354.41 g/mol
LogP2.63
Rot. Bonds7

About (E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide

(E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide (PubChem CID 26901654) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide
PubChem CID26901654
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide
SMILESCCOc1ccccc1/C=C/C(=O)NNC(=O)COc1cccc(C)c1
InChIInChI=1S/C20H22N2O4/c1-3-25-18-10-5-4-8-16(18)11-12-19(23)21-22-20(24)14-26-17-9-6-7-15(2)13-17/h4-13H,3,14H2,1-2H3,(H,21,23)(H,22,24)/b12-11+
InChIKeyOAWWRMIJQSIRIJ-VAWYXSNFSA-N
XLogP2.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.63
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-(2,5-dimethylphenoxy)acetyl]-3-(2-ethoxyphenyl)prop-2-enehydrazide
CID 26845882
N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5195318
(E)-3-(2-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471914
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 51195376
(E)-3-(2-bromophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 9470661
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide
CID 78771977
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
2-(3-methylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 3493807
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4529406
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide (CID 26901654) is (E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide is CCOc1ccccc1/C=C/C(=O)NNC(=O)COc1cccc(C)c1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is OAWWRMIJQSIRIJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-25-18-10-5-4-8-16(18)11-12-19(23)21-22-20(24)14-26-17-9-6-7-15(2)13-17/h4-13H,3,14H2,1-2H3,(H,21,23)(H,22,24)/b12-11+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide?
(E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 354.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 26901654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).