4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide

C24H28N4O — CID 69232522

IUPAC4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide
SMILESNCCCN(Cc1ccccc1)Cc1ccc(C(=O)N(N)c2ccccc2)cc1
InChIInChI=1S/C24H28N4O/c25-16-7-17-27(18-20-8-3-1-4-9-20)19-21-12-14-22(15-13-21)24(29)28(26)23-10-5-2-6-11-23/h1-6,8-15H,7,16-19,25-26H2
InChIKeyHNDRFPFCBYHOGU-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.56
Rot. Bonds9

About 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide

4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide (PubChem CID 69232522) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide.

Molecular Properties

Compound Name4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide
PubChem CID69232522
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide
SMILESNCCCN(Cc1ccccc1)Cc1ccc(C(=O)N(N)c2ccccc2)cc1
InChIInChI=1S/C24H28N4O/c25-16-7-17-27(18-20-8-3-1-4-9-20)19-21-12-14-22(15-13-21)24(29)28(26)23-10-5-2-6-11-23/h1-6,8-15H,7,16-19,25-26H2
InChIKeyHNDRFPFCBYHOGU-UHFFFAOYSA-N
XLogP3.56
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide 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-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
CID 107366810
methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate
CID 164962319
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
4-acetyl-N-(3-aminopropyl)-N-benzylthiophene-2-carboxamide
CID 120649352
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride
CID 119897269

Frequently Asked Questions

What is the IUPAC name of 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide?
The IUPAC name of 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide (CID 69232522) is 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide.
What is the SMILES notation for 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide?
The canonical SMILES for 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide is NCCCN(Cc1ccccc1)Cc1ccc(C(=O)N(N)c2ccccc2)cc1.
What is the InChIKey of 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide?
The InChIKey is HNDRFPFCBYHOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c25-16-7-17-27(18-20-8-3-1-4-9-20)19-21-12-14-22(15-13-21)24(29)28(26)23-10-5-2-6-11-23/h1-6,8-15H,7,16-19,25-26H2.
What are the key properties of 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide?
4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide has a molecular weight of 388.52 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-aminopropyl(benzyl)amino]methyl]-N-phenylbenzohydrazide is sourced from PubChem (CID 69232522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).