N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide

C9H16N2O4 — CID 3113998

IUPACN-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCCO)C(=O)NCC1CCCO1
InChIInChI=1S/C9H16N2O4/c12-4-3-10-8(13)9(14)11-6-7-2-1-5-15-7/h7,12H,1-6H2,(H,10,13)(H,11,14)
InChIKeyWCJFULBRUUXEEC-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.61
Rot. Bonds4

About N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide

N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 3113998) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID3113998
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC NameN-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCCO)C(=O)NCC1CCCO1
InChIInChI=1S/C9H16N2O4/c12-4-3-10-8(13)9(14)11-6-7-2-1-5-15-7/h7,12H,1-6H2,(H,10,13)(H,11,14)
InChIKeyWCJFULBRUUXEEC-UHFFFAOYSA-N
XLogP-1.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide (CID 3113998) is N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide is O=C(NCCO)C(=O)NCC1CCCO1.
What is the InChIKey of N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is WCJFULBRUUXEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c12-4-3-10-8(13)9(14)11-6-7-2-1-5-15-7/h7,12H,1-6H2,(H,10,13)(H,11,14).
What are the key properties of N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide?
N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 216.24 g/mol, XLogP of -1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3113998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).