N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide

C9H17N3O3 — CID 150709450

IUPACN-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide
SMILESCCC(=O)NNC(=O)CCCNC(C)=O
InChIInChI=1S/C9H17N3O3/c1-3-8(14)11-12-9(15)5-4-6-10-7(2)13/h3-6H2,1-2H3,(H,10,13)(H,11,14)(H,12,15)
InChIKeyRZXUOPHDPUPVDG-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.54
Rot. Bonds5

About N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide

N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide (PubChem CID 150709450) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide
PubChem CID150709450
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide
SMILESCCC(=O)NNC(=O)CCCNC(C)=O
InChIInChI=1S/C9H17N3O3/c1-3-8(14)11-12-9(15)5-4-6-10-7(2)13/h3-6H2,1-2H3,(H,10,13)(H,11,14)(H,12,15)
InChIKeyRZXUOPHDPUPVDG-UHFFFAOYSA-N
XLogP-0.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide?
The IUPAC name of N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide (CID 150709450) is N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide.
What is the SMILES notation for N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide?
The canonical SMILES for N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide is CCC(=O)NNC(=O)CCCNC(C)=O.
What is the InChIKey of N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide?
The InChIKey is RZXUOPHDPUPVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-3-8(14)11-12-9(15)5-4-6-10-7(2)13/h3-6H2,1-2H3,(H,10,13)(H,11,14)(H,12,15).
What are the key properties of N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide?
N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide has a molecular weight of 215.25 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide is sourced from PubChem (CID 150709450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).