N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide

C17H25N3O3 — CID 44997846

IUPACN'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-3-14-6-4-5-13(2)15(14)19-17(22)16(21)18-7-8-20-9-11-23-12-10-20/h4-6H,3,7-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHAVHIEPDHOTAAC-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.94
Rot. Bonds5

About N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide

N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 44997846) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID44997846
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-3-14-6-4-5-13(2)15(14)19-17(22)16(21)18-7-8-20-9-11-23-12-10-20/h4-6H,3,7-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHAVHIEPDHOTAAC-UHFFFAOYSA-N
XLogP0.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053328
(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862978
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113154221
N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 18588587
ethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzoate
CID 108501776
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
2-[(2-methylphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 2985571

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide (CID 44997846) is N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide is CCc1cccc(C)c1NC(=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is HAVHIEPDHOTAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-14-6-4-5-13(2)15(14)19-17(22)16(21)18-7-8-20-9-11-23-12-10-20/h4-6H,3,7-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide?
N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 319.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 44997846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).