N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide

C21H19N3O3 — CID 108525377

IUPACN'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide
SMILESCN(C(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H19N3O3/c1-23(16-11-13-19(25)14-12-16)20(26)21(27)24(17-5-3-2-4-6-17)18-9-7-15(22)8-10-18/h2-14,25H,22H2,1H3
InChIKeyBFPIEGRGMSTBKB-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.30
Rot. Bonds3

About N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide

N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide (PubChem CID 108525377) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide
PubChem CID108525377
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide
SMILESCN(C(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H19N3O3/c1-23(16-11-13-19(25)14-12-16)20(26)21(27)24(17-5-3-2-4-6-17)18-9-7-15(22)8-10-18/h2-14,25H,22H2,1H3
InChIKeyBFPIEGRGMSTBKB-UHFFFAOYSA-N
XLogP3.30
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.30
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,N-bis(2-hydroxyethyl)-N'-phenyloxamide
CID 108509880
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol
CID 155250845
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
CID 108520702
N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide
CID 108504994
N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide
CID 108517237
N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
CID 108512592
1-(4-aminophenyl)-3-pentan-3-yl-1-phenylurea
CID 108888323
aniline;benzene;benzene-1,4-diol
CID 175585204
N'-acetyl-N'-(4-hydroxyphenyl)-N-phenylacetohydrazide
CID 141032326

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide?
The IUPAC name of N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide (CID 108525377) is N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide?
The canonical SMILES for N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide is CN(C(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1)c1ccc(O)cc1.
What is the InChIKey of N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide?
The InChIKey is BFPIEGRGMSTBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-23(16-11-13-19(25)14-12-16)20(26)21(27)24(17-5-3-2-4-6-17)18-9-7-15(22)8-10-18/h2-14,25H,22H2,1H3.
What are the key properties of N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide?
N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide has a molecular weight of 361.40 g/mol, XLogP of 3.30, 3 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-hydroxyphenyl)-N-methyl-N'-phenyloxamide is sourced from PubChem (CID 108525377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).