4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide

C21H27N3O3 — CID 9156259

IUPAC4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C21H27N3O3/c1-3-24(4-2)18-14-12-17(13-15-18)21(26)23-22-20(25)11-8-16-27-19-9-6-5-7-10-19/h5-7,9-10,12-15H,3-4,8,11,16H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDKJQVYJIOPQZOR-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.15
Rot. Bonds9

About 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide

4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide (PubChem CID 9156259) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide.

Molecular Properties

Compound Name4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide
PubChem CID9156259
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C21H27N3O3/c1-3-24(4-2)18-14-12-17(13-15-18)21(26)23-22-20(25)11-8-16-27-19-9-6-5-7-10-19/h5-7,9-10,12-15H,3-4,8,11,16H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDKJQVYJIOPQZOR-UHFFFAOYSA-N
XLogP3.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.15
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 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide 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

4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide
CID 7969162
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide?
The IUPAC name of 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide (CID 9156259) is 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide.
What is the SMILES notation for 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide?
The canonical SMILES for 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide?
The InChIKey is DKJQVYJIOPQZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-24(4-2)18-14-12-17(13-15-18)21(26)23-22-20(25)11-8-16-27-19-9-6-5-7-10-19/h5-7,9-10,12-15H,3-4,8,11,16H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide?
4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide has a molecular weight of 369.47 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide is sourced from PubChem (CID 9156259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).