N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide

C23H25N3O3 — CID 24517670

IUPACN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-16(2)20-11-6-17(3)14-21(20)29-15-22(27)24-25-23(28)18-7-9-19(10-8-18)26-12-4-5-13-26/h4-14,16H,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyOLJJMBKEUYJMBQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.75
Rot. Bonds6

About N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide

N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide (PubChem CID 24517670) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide
PubChem CID24517670
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-16(2)20-11-6-17(3)14-21(20)29-15-22(27)24-25-23(28)18-7-9-19(10-8-18)26-12-4-5-13-26/h4-14,16H,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyOLJJMBKEUYJMBQ-UHFFFAOYSA-N
XLogP3.75
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 26821351
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952125
3,4-dimethoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4923561
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 3412471
2,6-difluoro-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 36816947
3-bromo-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342893
4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
CID 34992949
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 55317018
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propanoylphenoxy)acetohydrazide
CID 4811488
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 24641294

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide (CID 24517670) is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide?
The InChIKey is OLJJMBKEUYJMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(2)20-11-6-17(3)14-21(20)29-15-22(27)24-25-23(28)18-7-9-19(10-8-18)26-12-4-5-13-26/h4-14,16H,15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide?
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide has a molecular weight of 391.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 24517670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).