N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide

C17H25N3O3 — CID 108527465

IUPACN'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-3-4-9-19(2)17(22)16(21)18-14-7-5-6-8-15(14)20-10-12-23-13-11-20/h5-8H,3-4,9-13H2,1-2H3,(H,18,21)
InChIKeyJUWJXXDUENULQC-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.72
Rot. Bonds5

About N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide

N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide (PubChem CID 108527465) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
PubChem CID108527465
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-3-4-9-19(2)17(22)16(21)18-14-7-5-6-8-15(14)20-10-12-23-13-11-20/h5-8H,3-4,9-13H2,1-2H3,(H,18,21)
InChIKeyJUWJXXDUENULQC-UHFFFAOYSA-N
XLogP1.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109032404
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine
CID 150037240
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
N',N'-bis(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527466
N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108506578
2-[acetyl(pentyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113166804
N-butyl-N-methyl-5-(2-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 109288305
N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109161578
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide (CID 108527465) is N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide is CCCCN(C)C(=O)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide?
The InChIKey is JUWJXXDUENULQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-4-9-19(2)17(22)16(21)18-14-7-5-6-8-15(14)20-10-12-23-13-11-20/h5-8H,3-4,9-13H2,1-2H3,(H,18,21).
What are the key properties of N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide?
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide has a molecular weight of 319.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 108527465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).