2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide

C21H26N2O3 — CID 17129998

IUPAC2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-4-15(2)18-12-8-9-13-19(18)26-16(3)21(25)23-22-20(24)14-17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRIIZPPYWEATAMM-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.36
Rot. Bonds7

About 2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide

2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide (PubChem CID 17129998) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
PubChem CID17129998
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-4-15(2)18-12-8-9-13-19(18)26-16(3)21(25)23-22-20(24)14-17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRIIZPPYWEATAMM-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.36
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-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 17129993
2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 17129978
2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
CID 17130025
N-benzyl-2-(2-butan-2-ylphenoxy)propanamide
CID 17129862
2-(2-butan-2-ylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)propanehydrazide
CID 17130032
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
2-(4-ethylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 4953447
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 17130050
propyl 4-[2-[2-[2-(2-butan-2-ylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17130058
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide
CID 17129907

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide (CID 17129998) is 2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide is CCC(C)c1ccccc1OC(C)C(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide?
The InChIKey is RIIZPPYWEATAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-15(2)18-12-8-9-13-19(18)26-16(3)21(25)23-22-20(24)14-17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide?
2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide is sourced from PubChem (CID 17129998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).