N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide

C24H25N3O4 — CID 108519870

IUPACN'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide
SMILESCCOc1ccc(NC(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)cc1OCC
InChIInChI=1S/C24H25N3O4/c1-3-30-21-15-12-18(16-22(21)31-4-2)26-23(28)24(29)27(19-8-6-5-7-9-19)20-13-10-17(25)11-14-20/h5-16H,3-4,25H2,1-2H3,(H,26,28)
InChIKeyKMEDZZGSBAMDEJ-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.37
Rot. Bonds7

About N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide

N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide (PubChem CID 108519870) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide
PubChem CID108519870
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide
SMILESCCOc1ccc(NC(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)cc1OCC
InChIInChI=1S/C24H25N3O4/c1-3-30-21-15-12-18(16-22(21)31-4-2)26-23(28)24(29)27(19-8-6-5-7-9-19)20-13-10-17(25)11-14-20/h5-16H,3-4,25H2,1-2H3,(H,26,28)
InChIKeyKMEDZZGSBAMDEJ-UHFFFAOYSA-N
XLogP4.37
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 4-[[2-(N-(4-aminophenyl)anilino)-2-oxoacetyl]amino]benzoate
CID 108500099
N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
CID 141426633
N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
CID 108512592
N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide
CID 108511634
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
CID 108520702
N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
CID 108506834
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393
1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159
N-(3,4-diethoxyphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 108519873

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide?
The IUPAC name of N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide (CID 108519870) is N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide?
The canonical SMILES for N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide is CCOc1ccc(NC(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)cc1OCC.
What is the InChIKey of N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide?
The InChIKey is KMEDZZGSBAMDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-3-30-21-15-12-18(16-22(21)31-4-2)26-23(28)24(29)27(19-8-6-5-7-9-19)20-13-10-17(25)11-14-20/h5-16H,3-4,25H2,1-2H3,(H,26,28).
What are the key properties of N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide?
N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide has a molecular weight of 419.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide is sourced from PubChem (CID 108519870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).