N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide

C20H22N2O4 — CID 2091478

IUPACN'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
SMILESCC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-14-5-7-17(8-6-14)20(25)22-21-19(24)4-3-13-26-18-11-9-16(10-12-18)15(2)23/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLLWBAGSRBAVHGR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.82
Rot. Bonds7

About N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide

N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide (PubChem CID 2091478) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
PubChem CID2091478
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
SMILESCC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-14-5-7-17(8-6-14)20(25)22-21-19(24)4-3-13-26-18-11-9-16(10-12-18)15(2)23/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLLWBAGSRBAVHGR-UHFFFAOYSA-N
XLogP2.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(4-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24979119
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide
CID 60602190
4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 35344400
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide (CID 2091478) is N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide is CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide?
The InChIKey is LLWBAGSRBAVHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-5-7-17(8-6-14)20(25)22-21-19(24)4-3-13-26-18-11-9-16(10-12-18)15(2)23/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide?
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide has a molecular weight of 354.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 2091478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).