N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide

C13H23N3O4 — CID 3772791

IUPACN-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCC1CCCO1
InChIInChI=1S/C13H23N3O4/c17-12(13(18)15-10-11-2-1-7-20-11)14-3-4-16-5-8-19-9-6-16/h11H,1-10H2,(H,14,17)(H,15,18)
InChIKeyFCRSOTJGHJFOKO-UHFFFAOYSA-N
MW285.34 g/mol
LogP-1.27
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide

N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 3772791) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID3772791
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC NameN-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCC1CCCO1
InChIInChI=1S/C13H23N3O4/c17-12(13(18)15-10-11-2-1-7-20-11)14-3-4-16-5-8-19-9-6-16/h11H,1-10H2,(H,14,17)(H,15,18)
InChIKeyFCRSOTJGHJFOKO-UHFFFAOYSA-N
XLogP-1.27
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide (CID 3772791) is N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide is O=C(NCCN1CCOCC1)C(=O)NCC1CCCO1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is FCRSOTJGHJFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-12(13(18)15-10-11-2-1-7-20-11)14-3-4-16-5-8-19-9-6-16/h11H,1-10H2,(H,14,17)(H,15,18).
What are the key properties of N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide?
N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 285.34 g/mol, XLogP of -1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3772791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).