[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate

C26H21NO3 — CID 2119207

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate
SMILESO=C(COC(=O)Cc1cccc2ccccc12)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H21NO3/c28-25(27-24-16-7-6-15-23(24)20-9-2-1-3-10-20)18-30-26(29)17-21-13-8-12-19-11-4-5-14-22(19)21/h1-16H,17-18H2,(H,27,28)
InChIKeyVPSCSQDDRILMHQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.23
Rot. Bonds6

About [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate

[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate (PubChem CID 2119207) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate
PubChem CID2119207
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate
SMILESO=C(COC(=O)Cc1cccc2ccccc12)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H21NO3/c28-25(27-24-16-7-6-15-23(24)20-9-2-1-3-10-20)18-30-26(29)17-21-13-8-12-19-11-4-5-14-22(19)21/h1-16H,17-18H2,(H,27,28)
InChIKeyVPSCSQDDRILMHQ-UHFFFAOYSA-N
XLogP5.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-Methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 1690080
[2-(Naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2338108
[2-Oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2379220
2-Phenylbutanoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester
CID 4014963
[1-(4-Fluoroanilino)-1-oxobutan-2-yl] 2,2-diphenylacetate
CID 118256641
[2-(2-Ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate
CID 24687369
[2-(2,3-Dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2078532
[2-(3,5-Dimethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2091275
[2-(3-Fluoroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2385792
[2-Oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate
CID 2446818
[2-Oxo-2-(2-phenylanilino)ethyl] 4-phenylbenzoate
CID 2450538
[2-[2-Morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2547426

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate (CID 2119207) is [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate is O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate?
The InChIKey is VPSCSQDDRILMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3/c28-25(27-24-16-7-6-15-23(24)20-9-2-1-3-10-20)18-30-26(29)17-21-13-8-12-19-11-4-5-14-22(19)21/h1-16H,17-18H2,(H,27,28).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate?
[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate has a molecular weight of 395.46 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 2119207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).