N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide

C9H18N4O3 — CID 89292857

IUPACN-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)CNNC(C)=O
InChIInChI=1S/C9H18N4O3/c1-3-8(15)10-4-5-11-9(16)6-12-13-7(2)14/h12H,3-6H2,1-2H3,(H,10,15)(H,11,16)(H,13,14)
InChIKeyATFKAWRBKAUWSJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP-1.73
Rot. Bonds7

About N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide

N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide (PubChem CID 89292857) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide
PubChem CID89292857
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC NameN-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)CNNC(C)=O
InChIInChI=1S/C9H18N4O3/c1-3-8(15)10-4-5-11-9(16)6-12-13-7(2)14/h12H,3-6H2,1-2H3,(H,10,15)(H,11,16)(H,13,14)
InChIKeyATFKAWRBKAUWSJ-UHFFFAOYSA-N
XLogP-1.73
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-acetylhydrazinyl)acetyl]amino]ethyl]propanamide?
The IUPAC name of N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide (CID 89292857) is N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide?
The canonical SMILES for N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide is CCC(=O)NCCNC(=O)CNNC(C)=O.
What is the InChIKey of N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide?
The InChIKey is ATFKAWRBKAUWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-3-8(15)10-4-5-11-9(16)6-12-13-7(2)14/h12H,3-6H2,1-2H3,(H,10,15)(H,11,16)(H,13,14).
What are the key properties of N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide?
N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide has a molecular weight of 230.27 g/mol, XLogP of -1.73, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 89292857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).