N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide

C8H15N3O4 — CID 108527985

IUPACN-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)NCCO
InChIInChI=1S/C8H15N3O4/c1-6(13)9-2-3-10-7(14)8(15)11-4-5-12/h12H,2-5H2,1H3,(H,9,13)(H,10,14)(H,11,15)
InChIKeyQJSBFQREAULOOB-UHFFFAOYSA-N
MW217.22 g/mol
LogP-2.65
Rot. Bonds5

About N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide

N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide (PubChem CID 108527985) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide
PubChem CID108527985
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC NameN-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)NCCO
InChIInChI=1S/C8H15N3O4/c1-6(13)9-2-3-10-7(14)8(15)11-4-5-12/h12H,2-5H2,1H3,(H,9,13)(H,10,14)(H,11,15)
InChIKeyQJSBFQREAULOOB-UHFFFAOYSA-N
XLogP-2.65
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-2.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide (CID 108527985) is N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide is CC(=O)NCCNC(=O)C(=O)NCCO.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide?
The InChIKey is QJSBFQREAULOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-6(13)9-2-3-10-7(14)8(15)11-4-5-12/h12H,2-5H2,1H3,(H,9,13)(H,10,14)(H,11,15).
What are the key properties of N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide?
N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide has a molecular weight of 217.22 g/mol, XLogP of -2.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108527985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).