N-(4-hydrazinyl-4-oxobutyl)benzamide

C11H15N3O2 — CID 4736868

IUPACN-(4-hydrazinyl-4-oxobutyl)benzamide
SMILESNNC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C11H15N3O2/c12-14-10(15)7-4-8-13-11(16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,12H2,(H,13,16)(H,14,15)
InChIKeyGEPQMUSYKRYEQB-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.19
Rot. Bonds5

About N-(4-hydrazinyl-4-oxobutyl)benzamide

N-(4-hydrazinyl-4-oxobutyl)benzamide (PubChem CID 4736868) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(4-hydrazinyl-4-oxobutyl)benzamide.

Molecular Properties

Compound NameN-(4-hydrazinyl-4-oxobutyl)benzamide
PubChem CID4736868
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(4-hydrazinyl-4-oxobutyl)benzamide
SMILESNNC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C11H15N3O2/c12-14-10(15)7-4-8-13-11(16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,12H2,(H,13,16)(H,14,15)
InChIKeyGEPQMUSYKRYEQB-UHFFFAOYSA-N
XLogP0.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-hydrazinyl-4-oxobutyl)benzamide 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-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
N-(4-oxopentyl)benzamide
CID 10798281
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
methyl 4-benzamidobutanoate
CID 13197711
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
3-benzamidopropylphosphonic acid
CID 59131688
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009
N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide
CID 78814112

Frequently Asked Questions

What is the IUPAC name of N-(4-hydrazinyl-4-oxobutyl)benzamide?
The IUPAC name of N-(4-hydrazinyl-4-oxobutyl)benzamide (CID 4736868) is N-(4-hydrazinyl-4-oxobutyl)benzamide.
What is the SMILES notation for N-(4-hydrazinyl-4-oxobutyl)benzamide?
The canonical SMILES for N-(4-hydrazinyl-4-oxobutyl)benzamide is NNC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-(4-hydrazinyl-4-oxobutyl)benzamide?
The InChIKey is GEPQMUSYKRYEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-14-10(15)7-4-8-13-11(16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,12H2,(H,13,16)(H,14,15).
What are the key properties of N-(4-hydrazinyl-4-oxobutyl)benzamide?
N-(4-hydrazinyl-4-oxobutyl)benzamide has a molecular weight of 221.26 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydrazinyl-4-oxobutyl)benzamide is sourced from PubChem (CID 4736868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).