N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide

C20H22N4O4 — CID 108526488

IUPACN'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccccc1N1CCOCC1)c1cccc(N)c1
InChIInChI=1S/C20H22N4O4/c1-14(25)24(16-6-4-5-15(21)13-16)20(27)19(26)22-17-7-2-3-8-18(17)23-9-11-28-12-10-23/h2-8,13H,9-12,21H2,1H3,(H,22,26)
InChIKeyVZDHYGLEWJYXIF-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.62
Rot. Bonds3

About N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide

N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide (PubChem CID 108526488) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide
PubChem CID108526488
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccccc1N1CCOCC1)c1cccc(N)c1
InChIInChI=1S/C20H22N4O4/c1-14(25)24(16-6-4-5-15(21)13-16)20(27)19(26)22-17-7-2-3-8-18(17)23-9-11-28-12-10-23/h2-8,13H,9-12,21H2,1H3,(H,22,26)
InChIKeyVZDHYGLEWJYXIF-UHFFFAOYSA-N
XLogP1.62
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
(Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108818708
N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527553
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
N',N'-bis(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527466
3-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 28713588
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527541

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide (CID 108526488) is N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide is CC(=O)N(C(=O)C(=O)Nc1ccccc1N1CCOCC1)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide?
The InChIKey is VZDHYGLEWJYXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-14(25)24(16-6-4-5-15(21)13-16)20(27)19(26)22-17-7-2-3-8-18(17)23-9-11-28-12-10-23/h2-8,13H,9-12,21H2,1H3,(H,22,26).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide?
N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide has a molecular weight of 382.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 108526488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).