(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide

C19H20N2O3 — CID 17343908

IUPAC(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)/C=C/c2ccccc2)c1C
InChIInChI=1S/C19H20N2O3/c1-14-7-6-10-17(15(14)2)24-13-19(23)21-20-18(22)12-11-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,20,22)(H,21,23)/b12-11+
InChIKeyPEBMHNHNVOFKSS-VAWYXSNFSA-N
MW324.38 g/mol
LogP2.54
Rot. Bonds5

About (E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide

(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide (PubChem CID 17343908) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
PubChem CID17343908
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)/C=C/c2ccccc2)c1C
InChIInChI=1S/C19H20N2O3/c1-14-7-6-10-17(15(14)2)24-13-19(23)21-20-18(22)12-11-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,20,22)(H,21,23)/b12-11+
InChIKeyPEBMHNHNVOFKSS-VAWYXSNFSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 3253187
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
(E)-4-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6171221
(E)-N'-[2-(2-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 6297721
(E)-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17344022
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide
CID 17343961
(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
CID 17195601
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 4632407
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
CID 9470192
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
methyl 4-[2-[2-(2,3-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 17343916

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide (CID 17343908) is (E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide is Cc1cccc(OCC(=O)NNC(=O)/C=C/c2ccccc2)c1C.
What is the InChIKey of (E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide?
The InChIKey is PEBMHNHNVOFKSS-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-7-6-10-17(15(14)2)24-13-19(23)21-20-18(22)12-11-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,20,22)(H,21,23)/b12-11+.
What are the key properties of (E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide?
(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide has a molecular weight of 324.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide is sourced from PubChem (CID 17343908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).