N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide

C20H23N3O4 — CID 4265554

IUPACN-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
SMILESCc1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-15-7-9-17(10-8-15)27-14-20(26)23-22-19(25)12-11-18(24)21-13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyVIIKRZCDKSVAPA-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.62
Rot. Bonds8

About N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide (PubChem CID 4265554) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
PubChem CID4265554
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
SMILESCc1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-15-7-9-17(10-8-15)27-14-20(26)23-22-19(25)12-11-18(24)21-13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyVIIKRZCDKSVAPA-UHFFFAOYSA-N
XLogP1.62
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-phenoxyacetamide
CID 309669
N-(4-methoxybenzyl)-2-(4-methoxyphenoxy)acetamide
CID 748751
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
N-(2-Methoxy-benzyl)-2-p-tolyloxy-acetamide
CID 684085
N-(2-Methyl-benzyl)-2-phenoxy-acetamide
CID 778125
2-(4-fluorophenoxy)-N-(4-methoxybenzyl)acetamide
CID 887507
[2-(Benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523281
2-(4-Isopropyl-phenoxy)-N-(1-phenyl-ethyl)-acetamide
CID 2788031
2-(4-methoxyphenoxy)-N-(1-phenylethyl)propanamide
CID 2789587
2-{4-[(2-Hydroxy-acetyl)-hydrazonomethyl]-phenoxy}-N-(1-phenyl-ethyl)-acetamide
CID 9594409
N-benzyl-2-phenoxy-N-((R)-pyrrolidin-2-ylmethyl)butanamide
CID 44579755
N-benzyl-2-(3-methylphenoxy)acetamide
CID 708636

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide (CID 4265554) is N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide is Cc1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is VIIKRZCDKSVAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-15-7-9-17(10-8-15)27-14-20(26)23-22-19(25)12-11-18(24)21-13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 369.42 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 4265554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).