1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone

C22H20N2O4 — CID 158513452

IUPAC1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone
SMILESNc1ccc(C(=O)Cc2cc(CC(=O)c3ccc(N)cc3)c(O)cc2O)cc1
InChIInChI=1S/C22H20N2O4/c23-17-5-1-13(2-6-17)19(25)10-15-9-16(22(28)12-21(15)27)11-20(26)14-3-7-18(24)8-4-14/h1-9,12,27-28H,10-11,23-24H2
InChIKeyMWUCKKKCYOFXMA-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.11
Rot. Bonds6

About 1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone

1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone (PubChem CID 158513452) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone
PubChem CID158513452
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone
SMILESNc1ccc(C(=O)Cc2cc(CC(=O)c3ccc(N)cc3)c(O)cc2O)cc1
InChIInChI=1S/C22H20N2O4/c23-17-5-1-13(2-6-17)19(25)10-15-9-16(22(28)12-21(15)27)11-20(26)14-3-7-18(24)8-4-14/h1-9,12,27-28H,10-11,23-24H2
InChIKeyMWUCKKKCYOFXMA-UHFFFAOYSA-N
XLogP3.11
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
CID 145137621
1-(4-aminophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107308085
1-(4-aminophenyl)propan-1-one
CID 6270
1-(4-aminophenyl)-2-hydroxyethanone
CID 19755805
2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane
CID 169208742
2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
1-(4-aminophenyl)-2-sulfanylethanone
CID 89175546
2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129670
2-(2-hydroxyphenyl)-1-(4-hydroxyphenyl)ethanone
CID 19801522
2-(2,4-dihydroxyphenyl)-1-phenylethanone
CID 15669269
2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
CID 116577086
1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
CID 170896135

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone (CID 158513452) is 1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone is Nc1ccc(C(=O)Cc2cc(CC(=O)c3ccc(N)cc3)c(O)cc2O)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone?
The InChIKey is MWUCKKKCYOFXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c23-17-5-1-13(2-6-17)19(25)10-15-9-16(22(28)12-21(15)27)11-20(26)14-3-7-18(24)8-4-14/h1-9,12,27-28H,10-11,23-24H2.
What are the key properties of 1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone?
1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone has a molecular weight of 376.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone is sourced from PubChem (CID 158513452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).