3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide

C19H21N3O3 — CID 4582933

IUPAC3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide
SMILESC=C(CC(=O)Nc1ccccc1)NNC(=O)COc1ccccc1C
InChIInChI=1S/C19H21N3O3/c1-14-8-6-7-11-17(14)25-13-19(24)22-21-15(2)12-18(23)20-16-9-4-3-5-10-16/h3-11,21H,2,12-13H2,1H3,(H,20,23)(H,22,24)
InChIKeyXCWSDJRXADKTQG-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.54
Rot. Bonds8

About 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide

3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide (PubChem CID 4582933) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide.

Molecular Properties

Compound Name3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide
PubChem CID4582933
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide
SMILESC=C(CC(=O)Nc1ccccc1)NNC(=O)COc1ccccc1C
InChIInChI=1S/C19H21N3O3/c1-14-8-6-7-11-17(14)25-13-19(24)22-21-15(2)12-18(23)20-16-9-4-3-5-10-16/h3-11,21H,2,12-13H2,1H3,(H,20,23)(H,22,24)
InChIKeyXCWSDJRXADKTQG-UHFFFAOYSA-N
XLogP2.54
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate
CID 2308890
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-[4-(2-methoxyethoxy)phenyl]-2-(2-methylphenoxy)acetamide
CID 17340393
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
(E)-4-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6171221
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926318
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide?
The IUPAC name of 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide (CID 4582933) is 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide.
What is the SMILES notation for 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide?
The canonical SMILES for 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide is C=C(CC(=O)Nc1ccccc1)NNC(=O)COc1ccccc1C.
What is the InChIKey of 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide?
The InChIKey is XCWSDJRXADKTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-8-6-7-11-17(14)25-13-19(24)22-21-15(2)12-18(23)20-16-9-4-3-5-10-16/h3-11,21H,2,12-13H2,1H3,(H,20,23)(H,22,24).
What are the key properties of 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide?
3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide has a molecular weight of 339.40 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide is sourced from PubChem (CID 4582933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).