2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide

C25H26N2O3 — CID 17073452

IUPAC2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-2-23(25(29)27-26-24(28)18-13-19-9-5-3-6-10-19)30-22-16-14-21(15-17-22)20-11-7-4-8-12-20/h3-12,14-17,23H,2,13,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyLRIRODIKSFYKRT-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.29
Rot. Bonds8

About 2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide

2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide (PubChem CID 17073452) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide
PubChem CID17073452
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-2-23(25(29)27-26-24(28)18-13-19-9-5-3-6-10-19)30-22-16-14-21(15-17-22)20-11-7-4-8-12-20/h3-12,14-17,23H,2,13,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyLRIRODIKSFYKRT-UHFFFAOYSA-N
XLogP4.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.29
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

N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
CID 17073544
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
benzyl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672716
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
CID 24543011
2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222894
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide
CID 4929839
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073519

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide?
The IUPAC name of 2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide (CID 17073452) is 2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide?
The canonical SMILES for 2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCc1ccccc1.
What is the InChIKey of 2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide?
The InChIKey is LRIRODIKSFYKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-23(25(29)27-26-24(28)18-13-19-9-5-3-6-10-19)30-22-16-14-21(15-17-22)20-11-7-4-8-12-20/h3-12,14-17,23H,2,13,18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide?
2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide has a molecular weight of 402.49 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide is sourced from PubChem (CID 17073452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).