N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide

C17H19N3O3 — CID 108504994

IUPACN'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide
SMILESCOCCNC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C17H19N3O3/c1-23-12-11-19-16(21)17(22)20(14-5-3-2-4-6-14)15-9-7-13(18)8-10-15/h2-10H,11-12,18H2,1H3,(H,19,21)
InChIKeyWDDABZWRCLRULJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.70
Rot. Bonds5

About N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide

N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide (PubChem CID 108504994) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide
PubChem CID108504994
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide
SMILESCOCCNC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C17H19N3O3/c1-23-12-11-19-16(21)17(22)20(14-5-3-2-4-6-14)15-9-7-13(18)8-10-15/h2-10H,11-12,18H2,1H3,(H,19,21)
InChIKeyWDDABZWRCLRULJ-UHFFFAOYSA-N
XLogP1.70
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide
CID 108505286
1-(4-aminophenyl)-3-(2-methoxyethoxymethyl)-1-phenylurea
CID 108894429
N-(2-methoxyethyl)-N',N'-diphenylbutanediamide
CID 3996534
2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
CID 55173821
N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
CID 108520702
N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide
CID 108525369
ethyl 4-[[2-(N-(4-aminophenyl)anilino)-2-oxoacetyl]amino]benzoate
CID 108500099
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
CID 108512592
N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide
CID 108519870
N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide
CID 108509880
3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
CID 61187915

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide?
The IUPAC name of N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide (CID 108504994) is N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide?
The canonical SMILES for N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide is COCCNC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide?
The InChIKey is WDDABZWRCLRULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-12-11-19-16(21)17(22)20(14-5-3-2-4-6-14)15-9-7-13(18)8-10-15/h2-10H,11-12,18H2,1H3,(H,19,21).
What are the key properties of N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide?
N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide has a molecular weight of 313.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide is sourced from PubChem (CID 108504994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).