[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate

C26H22N2O3 — CID 23764260

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate
SMILESO=C(COC(=O)CN(c1ccccc1)c1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C26H22N2O3/c29-25(27-22-16-15-20-9-7-8-10-21(20)17-22)19-31-26(30)18-28(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17H,18-19H2,(H,27,29)
InChIKeyVGMBVHJOPGUHGJ-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.16
Rot. Bonds7

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate (PubChem CID 23764260) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate
PubChem CID23764260
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate
SMILESO=C(COC(=O)CN(c1ccccc1)c1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C26H22N2O3/c29-25(27-22-16-15-20-9-7-8-10-21(20)17-22)19-31-26(30)18-28(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17H,18-19H2,(H,27,29)
InChIKeyVGMBVHJOPGUHGJ-UHFFFAOYSA-N
XLogP5.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835
[2-(naphthalen-2-ylamino)-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132916
phenacyl 4-(naphthalen-2-ylamino)-4-oxobutanoate
CID 2268864
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695749
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8551549
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903892
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573563

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate (CID 23764260) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate is O=C(COC(=O)CN(c1ccccc1)c1ccccc1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate?
The InChIKey is VGMBVHJOPGUHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c29-25(27-22-16-15-20-9-7-8-10-21(20)17-22)19-31-26(30)18-28(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17H,18-19H2,(H,27,29).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate has a molecular weight of 410.47 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(N-phenylanilino)acetate is sourced from PubChem (CID 23764260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).