2-[acetamido(pentyl)amino]-2-oxoacetamide

C9H17N3O3 — CID 22004304

IUPAC2-[acetamido(pentyl)amino]-2-oxoacetamide
SMILESCCCCCN(NC(C)=O)C(=O)C(N)=O
InChIInChI=1S/C9H17N3O3/c1-3-4-5-6-12(11-7(2)13)9(15)8(10)14/h3-6H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyZIDIBMSCFXUFSG-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.46
Rot. Bonds4

About 2-[acetamido(pentyl)amino]-2-oxoacetamide

2-[acetamido(pentyl)amino]-2-oxoacetamide (PubChem CID 22004304) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[acetamido(pentyl)amino]-2-oxoacetamide.

Molecular Properties

Compound Name2-[acetamido(pentyl)amino]-2-oxoacetamide
PubChem CID22004304
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[acetamido(pentyl)amino]-2-oxoacetamide
SMILESCCCCCN(NC(C)=O)C(=O)C(N)=O
InChIInChI=1S/C9H17N3O3/c1-3-4-5-6-12(11-7(2)13)9(15)8(10)14/h3-6H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyZIDIBMSCFXUFSG-UHFFFAOYSA-N
XLogP-0.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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 2-[acetamido(pentyl)amino]-2-oxoacetamide?
The IUPAC name of 2-[acetamido(pentyl)amino]-2-oxoacetamide (CID 22004304) is 2-[acetamido(pentyl)amino]-2-oxoacetamide.
What is the SMILES notation for 2-[acetamido(pentyl)amino]-2-oxoacetamide?
The canonical SMILES for 2-[acetamido(pentyl)amino]-2-oxoacetamide is CCCCCN(NC(C)=O)C(=O)C(N)=O.
What is the InChIKey of 2-[acetamido(pentyl)amino]-2-oxoacetamide?
The InChIKey is ZIDIBMSCFXUFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-3-4-5-6-12(11-7(2)13)9(15)8(10)14/h3-6H2,1-2H3,(H2,10,14)(H,11,13).
What are the key properties of 2-[acetamido(pentyl)amino]-2-oxoacetamide?
2-[acetamido(pentyl)amino]-2-oxoacetamide has a molecular weight of 215.25 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetamido(pentyl)amino]-2-oxoacetamide is sourced from PubChem (CID 22004304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).