N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide

C18H27N3O3 — CID 108517566

IUPACN'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)14-4-6-15(7-5-14)20-17(23)16(22)19-8-9-21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQEVSLNIXKAADLI-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.37
Rot. Bonds4

About N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide

N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 108517566) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID108517566
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)14-4-6-15(7-5-14)20-17(23)16(22)19-8-9-21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQEVSLNIXKAADLI-UHFFFAOYSA-N
XLogP1.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.37
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

(E)-3-(4-tert-butylphenyl)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 845852
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 2915953
N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229662
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160686
N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 90497880
N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 44997846
4-[(2-amino-2-methylpentanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865137
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517619

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide (CID 108517566) is N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide is CC(C)(C)c1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is QEVSLNIXKAADLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)14-4-6-15(7-5-14)20-17(23)16(22)19-8-9-21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide?
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 333.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 108517566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).