(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate

C16H16N2O3 — CID 61320739

IUPAC(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c17-13-8-6-12(7-9-13)10-16(20)21-11-15(19)18-14-4-2-1-3-5-14/h1-9H,10-11,17H2,(H,18,19)
InChIKeyURAJUUHJCFCHNZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.99
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate

(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate (PubChem CID 61320739) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
PubChem CID61320739
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c17-13-8-6-12(7-9-13)10-16(20)21-11-15(19)18-14-4-2-1-3-5-14/h1-9H,10-11,17H2,(H,18,19)
InChIKeyURAJUUHJCFCHNZ-UHFFFAOYSA-N
XLogP1.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671886
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 4803020
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188
(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
CID 8633215
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate (CID 61320739) is (2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate is Nc1ccc(CC(=O)OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate?
The InChIKey is URAJUUHJCFCHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-13-8-6-12(7-9-13)10-16(20)21-11-15(19)18-14-4-2-1-3-5-14/h1-9H,10-11,17H2,(H,18,19).
What are the key properties of (2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate?
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate has a molecular weight of 284.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate is sourced from PubChem (CID 61320739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).