N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide

C26H21N3O3 — CID 108511634

IUPACN'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide
SMILESNc1ccc(N(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H21N3O3/c27-19-11-15-22(16-12-19)29(21-7-3-1-4-8-21)26(31)25(30)28-20-13-17-24(18-14-20)32-23-9-5-2-6-10-23/h1-18H,27H2,(H,28,30)
InChIKeyBPMPSMCAKCHZKV-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.36
Rot. Bonds5

About N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide

N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide (PubChem CID 108511634) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide
PubChem CID108511634
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC NameN'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide
SMILESNc1ccc(N(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H21N3O3/c27-19-11-15-22(16-12-19)29(21-7-3-1-4-8-21)26(31)25(30)28-20-13-17-24(18-14-20)32-23-9-5-2-6-10-23/h1-18H,27H2,(H,28,30)
InChIKeyBPMPSMCAKCHZKV-UHFFFAOYSA-N
XLogP5.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.36
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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
CID 108512592
ethyl 4-[[2-(N-(4-aminophenyl)anilino)-2-oxoacetyl]amino]benzoate
CID 108500099
N,N',N'-triphenyloxamide
CID 54357836
N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
CID 108520702
N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide
CID 108519870
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide
CID 108525369
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide?
The IUPAC name of N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide (CID 108511634) is N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide?
The canonical SMILES for N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide is Nc1ccc(N(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide?
The InChIKey is BPMPSMCAKCHZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c27-19-11-15-22(16-12-19)29(21-7-3-1-4-8-21)26(31)25(30)28-20-13-17-24(18-14-20)32-23-9-5-2-6-10-23/h1-18H,27H2,(H,28,30).
What are the key properties of N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide?
N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide has a molecular weight of 423.47 g/mol, XLogP of 5.36, 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-(4-phenoxyphenyl)-N'-phenyloxamide is sourced from PubChem (CID 108511634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).