N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide

C19H21N3O4 — CID 4027266

IUPACN-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide
SMILESO=C(CCC(=O)NNC(=O)COc1ccccc1)NCc1ccccc1
InChIInChI=1S/C19H21N3O4/c23-17(20-13-15-7-3-1-4-8-15)11-12-18(24)21-22-19(25)14-26-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyQSSHQILVVNWBBU-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.31
Rot. Bonds8

About N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide

N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide (PubChem CID 4027266) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide
PubChem CID4027266
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide
SMILESO=C(CCC(=O)NNC(=O)COc1ccccc1)NCc1ccccc1
InChIInChI=1S/C19H21N3O4/c23-17(20-13-15-7-3-1-4-8-15)11-12-18(24)21-22-19(25)14-26-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyQSSHQILVVNWBBU-UHFFFAOYSA-N
XLogP1.31
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.31
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

N-benzyl-2-phenoxyacetamide
CID 309669
N-(4-methoxybenzyl)-2-(4-methoxyphenoxy)acetamide
CID 748751
N-(2-Methoxy-benzyl)-2-p-tolyloxy-acetamide
CID 684085
N-(2-Methyl-benzyl)-2-phenoxy-acetamide
CID 778125
2-(4-methoxyphenoxy)-N-(1-phenylethyl)propanamide
CID 2789587
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4846808
1-benzyl-N-[2-(2-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963720
N-benzyl-2-phenoxy-N-((R)-pyrrolidin-2-ylmethyl)butanamide
CID 44579755
N-benzyl-2-(3-methylphenoxy)acetamide
CID 708636
N-[(2-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 2889810
2-phenoxy-N-(2-phenylethyl)acetamide
CID 309559
N-benzyl-3-phenoxypropanamide
CID 725617

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide?
The IUPAC name of N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide (CID 4027266) is N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide.
What is the SMILES notation for N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide?
The canonical SMILES for N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide is O=C(CCC(=O)NNC(=O)COc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide?
The InChIKey is QSSHQILVVNWBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-17(20-13-15-7-3-1-4-8-15)11-12-18(24)21-22-19(25)14-26-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide?
N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide has a molecular weight of 355.39 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanamide is sourced from PubChem (CID 4027266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).