N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide

C10H18N4O4 — CID 57060379

IUPACN-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NN(NC(C)=O)C(C)=O
InChIInChI=1S/C10H18N4O4/c1-4-5-9(17)11-6-10(18)13-14(8(3)16)12-7(2)15/h4-6H2,1-3H3,(H,11,17)(H,12,15)(H,13,18)
InChIKeyKWTQFYIETJKOOR-UHFFFAOYSA-N
MW258.28 g/mol
LogP-1.17
Rot. Bonds4

About N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide

N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide (PubChem CID 57060379) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide
PubChem CID57060379
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC NameN-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NN(NC(C)=O)C(C)=O
InChIInChI=1S/C10H18N4O4/c1-4-5-9(17)11-6-10(18)13-14(8(3)16)12-7(2)15/h4-6H2,1-3H3,(H,11,17)(H,12,15)(H,13,18)
InChIKeyKWTQFYIETJKOOR-UHFFFAOYSA-N
XLogP-1.17
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
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-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide (CID 57060379) is N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NN(NC(C)=O)C(C)=O.
What is the InChIKey of N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide?
The InChIKey is KWTQFYIETJKOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c1-4-5-9(17)11-6-10(18)13-14(8(3)16)12-7(2)15/h4-6H2,1-3H3,(H,11,17)(H,12,15)(H,13,18).
What are the key properties of N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide?
N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide has a molecular weight of 258.28 g/mol, XLogP of -1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide is sourced from PubChem (CID 57060379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).