N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide

C10H18N4O4 — CID 56982020

IUPACN-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NNC(=O)CNC(C)=O
InChIInChI=1S/C10H18N4O4/c1-3-4-8(16)12-6-10(18)14-13-9(17)5-11-7(2)15/h3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,17)(H,14,18)
InChIKeyVWTPIGDFHQQESQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP-1.81
Rot. Bonds6

About N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide

N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide (PubChem CID 56982020) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide
PubChem CID56982020
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC NameN-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NNC(=O)CNC(C)=O
InChIInChI=1S/C10H18N4O4/c1-3-4-8(16)12-6-10(18)14-13-9(17)5-11-7(2)15/h3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,17)(H,14,18)
InChIKeyVWTPIGDFHQQESQ-UHFFFAOYSA-N
XLogP-1.81
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide (CID 56982020) is N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NNC(=O)CNC(C)=O.
What is the InChIKey of N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide?
The InChIKey is VWTPIGDFHQQESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c1-3-4-8(16)12-6-10(18)14-13-9(17)5-11-7(2)15/h3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,17)(H,14,18).
What are the key properties of N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide?
N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide has a molecular weight of 258.28 g/mol, XLogP of -1.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide is sourced from PubChem (CID 56982020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).