N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide

C25H26N2O3 — CID 2965039

IUPACN'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-3-18(2)19-13-15-23(16-14-19)30-17-24(28)26-27-25(29)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16,18H,3,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyQXMZLAYZDKAICX-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.71
Rot. Bonds7

About N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide

N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide (PubChem CID 2965039) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
PubChem CID2965039
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-3-18(2)19-13-15-23(16-14-19)30-17-24(28)26-27-25(29)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16,18H,3,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyQXMZLAYZDKAICX-UHFFFAOYSA-N
XLogP4.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.71
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'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 17189667
4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4952843
4-(2-phenylethoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4956671
4-butan-2-yloxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17141755
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
4-tert-butyl-N-[4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 4513398
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
CID 17179188
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189717
4-ethoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4949266
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide?
The IUPAC name of N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide (CID 2965039) is N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide?
The canonical SMILES for N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide is CCC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide?
The InChIKey is QXMZLAYZDKAICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-18(2)19-13-15-23(16-14-19)30-17-24(28)26-27-25(29)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16,18H,3,17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide?
N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide has a molecular weight of 402.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide is sourced from PubChem (CID 2965039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).