N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide

C12H22N4O4 — CID 56609020

IUPACN-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide
SMILESCCCC(=O)NCCC(=O)NNC(=O)CCNC(C)=O
InChIInChI=1S/C12H22N4O4/c1-3-4-10(18)14-8-6-12(20)16-15-11(19)5-7-13-9(2)17/h3-8H2,1-2H3,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKeyQZROMWMSYODXEL-UHFFFAOYSA-N
MW286.33 g/mol
LogP-1.03
Rot. Bonds8

About N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide

N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide (PubChem CID 56609020) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide
PubChem CID56609020
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC NameN-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide
SMILESCCCC(=O)NCCC(=O)NNC(=O)CCNC(C)=O
InChIInChI=1S/C12H22N4O4/c1-3-4-10(18)14-8-6-12(20)16-15-11(19)5-7-13-9(2)17/h3-8H2,1-2H3,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKeyQZROMWMSYODXEL-UHFFFAOYSA-N
XLogP-1.03
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide 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-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide?
The IUPAC name of N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide (CID 56609020) is N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide.
What is the SMILES notation for N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide?
The canonical SMILES for N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide is CCCC(=O)NCCC(=O)NNC(=O)CCNC(C)=O.
What is the InChIKey of N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide?
The InChIKey is QZROMWMSYODXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-3-4-10(18)14-8-6-12(20)16-15-11(19)5-7-13-9(2)17/h3-8H2,1-2H3,(H,13,17)(H,14,18)(H,15,19)(H,16,20).
What are the key properties of N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide?
N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide has a molecular weight of 286.33 g/mol, XLogP of -1.03, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide is sourced from PubChem (CID 56609020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).