N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide

C14H25N3O4 — CID 2883327

IUPACN-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H25N3O4/c18-13(14(19)16-11-12-3-1-8-21-12)15-4-2-5-17-6-9-20-10-7-17/h12H,1-11H2,(H,15,18)(H,16,19)
InChIKeyIVJMJOKEFJVJMB-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.88
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide

N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 2883327) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID2883327
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H25N3O4/c18-13(14(19)16-11-12-3-1-8-21-12)15-4-2-5-17-6-9-20-10-7-17/h12H,1-11H2,(H,15,18)(H,16,19)
InChIKeyIVJMJOKEFJVJMB-UHFFFAOYSA-N
XLogP-0.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(morpholin-4-yl)ethyl]-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3772791
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
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
1-(2-Ethylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229573
1-(Azepan-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229577
2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 45794860

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide (CID 2883327) is N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)NCC1CCCO1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is IVJMJOKEFJVJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c18-13(14(19)16-11-12-3-1-8-21-12)15-4-2-5-17-6-9-20-10-7-17/h12H,1-11H2,(H,15,18)(H,16,19).
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide?
N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 299.37 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 2883327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).