N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide

C20H23N3O4 — CID 4623952

IUPACN-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide
SMILESC=C(CC(=O)NCc1ccccc1)NNC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C20H23N3O4/c1-15(12-19(24)21-13-16-6-4-3-5-7-16)22-23-20(25)14-27-18-10-8-17(26-2)9-11-18/h3-11,22H,1,12-14H2,2H3,(H,21,24)(H,23,25)
InChIKeyZEUOSLJMDVLCHE-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.91
Rot. Bonds10

About N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide

N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide (PubChem CID 4623952) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide.

Molecular Properties

Compound NameN-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide
PubChem CID4623952
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide
SMILESC=C(CC(=O)NCc1ccccc1)NNC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C20H23N3O4/c1-15(12-19(24)21-13-16-6-4-3-5-7-16)22-23-20(25)14-27-18-10-8-17(26-2)9-11-18/h3-11,22H,1,12-14H2,2H3,(H,21,24)(H,23,25)
InChIKeyZEUOSLJMDVLCHE-UHFFFAOYSA-N
XLogP1.91
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3975878
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-benzyl-N'-[(E)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 94832235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide?
The IUPAC name of N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide (CID 4623952) is N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide.
What is the SMILES notation for N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide?
The canonical SMILES for N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide is C=C(CC(=O)NCc1ccccc1)NNC(=O)COc1ccc(OC)cc1.
What is the InChIKey of N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide?
The InChIKey is ZEUOSLJMDVLCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-15(12-19(24)21-13-16-6-4-3-5-7-16)22-23-20(25)14-27-18-10-8-17(26-2)9-11-18/h3-11,22H,1,12-14H2,2H3,(H,21,24)(H,23,25).
What are the key properties of N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide?
N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide has a molecular weight of 369.42 g/mol, XLogP of 1.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide is sourced from PubChem (CID 4623952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).