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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Related Compounds

1-(Tetrahydro-2-furoyl)piperazine
CID 2734641
N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide
CID 2883327
N-[3-(dimethylamino)propyl]-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3156710
1-(2-Ethylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone;hydrochloride
CID 16192856
N~2~-acetyl-N~1~-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 45241510
N-(4-aminobutyl)-N-[2-[(2-amino-2-oxoethyl)-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-(tridecylamino)acetamide
CID 145981259
1-((Tetrahydrofuran-2-yl)carbonyl)piperazine, (2R)-
CID 7168208
2-[(Oxolan-2-ylmethyl)amino]-1-(pyrrolidin-1-yl)ethan-1-one
CID 3229576
N,N-dimethyl-2-(oxolan-2-ylmethylamino)acetamide
CID 3229579
N,N-Bis(1-methylethyl)-2-[[(tetrahydro-2-furanyl)methyl]amino]propanamide
CID 3229586
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3229427
1-(2-Methylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229572

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).