N'-[2-(2-hydroxyethylamino)ethyl]oxamide

C6H13N3O3 — CID 87156919

IUPACN'-[2-(2-hydroxyethylamino)ethyl]oxamide
SMILESNC(=O)C(=O)NCCNCCO
InChIInChI=1S/C6H13N3O3/c7-5(11)6(12)9-2-1-8-3-4-10/h8,10H,1-4H2,(H2,7,11)(H,9,12)
InChIKeyLYBRMTZQHHUCAI-UHFFFAOYSA-N
MW175.19 g/mol
LogP-2.83
Rot. Bonds5

About N'-[2-(2-hydroxyethylamino)ethyl]oxamide

N'-[2-(2-hydroxyethylamino)ethyl]oxamide (PubChem CID 87156919) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is N'-[2-(2-hydroxyethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(2-hydroxyethylamino)ethyl]oxamide
PubChem CID87156919
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC NameN'-[2-(2-hydroxyethylamino)ethyl]oxamide
SMILESNC(=O)C(=O)NCCNCCO
InChIInChI=1S/C6H13N3O3/c7-5(11)6(12)9-2-1-8-3-4-10/h8,10H,1-4H2,(H2,7,11)(H,9,12)
InChIKeyLYBRMTZQHHUCAI-UHFFFAOYSA-N
XLogP-2.83
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-2.83
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-(2-hydroxyethylamino)ethyl]oxamide?
The IUPAC name of N'-[2-(2-hydroxyethylamino)ethyl]oxamide (CID 87156919) is N'-[2-(2-hydroxyethylamino)ethyl]oxamide.
What is the SMILES notation for N'-[2-(2-hydroxyethylamino)ethyl]oxamide?
The canonical SMILES for N'-[2-(2-hydroxyethylamino)ethyl]oxamide is NC(=O)C(=O)NCCNCCO.
What is the InChIKey of N'-[2-(2-hydroxyethylamino)ethyl]oxamide?
The InChIKey is LYBRMTZQHHUCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c7-5(11)6(12)9-2-1-8-3-4-10/h8,10H,1-4H2,(H2,7,11)(H,9,12).
What are the key properties of N'-[2-(2-hydroxyethylamino)ethyl]oxamide?
N'-[2-(2-hydroxyethylamino)ethyl]oxamide has a molecular weight of 175.19 g/mol, XLogP of -2.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-hydroxyethylamino)ethyl]oxamide is sourced from PubChem (CID 87156919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).