N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide

C20H24N2O3 — CID 17073544

IUPACN'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
SMILESCCCC(=O)NNC(=O)C(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-8-19(23)21-22-20(24)18(4-2)25-17-13-11-16(12-14-17)15-9-6-5-7-10-15/h5-7,9-14,18H,3-4,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFSHWYUQXFHNHCM-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.46
Rot. Bonds7

About N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide

N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide (PubChem CID 17073544) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
PubChem CID17073544
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
SMILESCCCC(=O)NNC(=O)C(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-8-19(23)21-22-20(24)18(4-2)25-17-13-11-16(12-14-17)15-9-6-5-7-10-15/h5-7,9-14,18H,3-4,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFSHWYUQXFHNHCM-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide
CID 17073452
4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
N'-[2-(4-methoxyphenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073439
4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4950203
2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073460
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
CID 24543011
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073519
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide
CID 4929692
2-(4-methylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]butanehydrazide
CID 4950205
N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide
CID 4929839

Frequently Asked Questions

What is the IUPAC name of N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide?
The IUPAC name of N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide (CID 17073544) is N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide.
What is the SMILES notation for N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide?
The canonical SMILES for N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide is CCCC(=O)NNC(=O)C(CC)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide?
The InChIKey is FSHWYUQXFHNHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-8-19(23)21-22-20(24)18(4-2)25-17-13-11-16(12-14-17)15-9-6-5-7-10-15/h5-7,9-14,18H,3-4,8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide?
N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide has a molecular weight of 340.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide is sourced from PubChem (CID 17073544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).