N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide

C25H16N2O6 — CID 155543658

IUPACN-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H16N2O6/c28-22(26-27-24(30)18-8-4-5-9-19(18)25(27)31)14-32-16-10-11-17-20(15-6-2-1-3-7-15)13-23(29)33-21(17)12-16/h1-13H,14H2,(H,26,28)
InChIKeyYUBBCSZIZQIZPQ-UHFFFAOYSA-N
MW440.41 g/mol
LogP3.17
Rot. Bonds5

About N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide

N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide (PubChem CID 155543658) has the molecular formula C25H16N2O6 and a molecular weight of 440.41 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
PubChem CID155543658
Molecular FormulaC25H16N2O6
Molecular Weight440.41 g/mol
Exact Mass440.10
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H16N2O6/c28-22(26-27-24(30)18-8-4-5-9-19(18)25(27)31)14-32-16-10-11-17-20(15-6-2-1-3-7-15)13-23(29)33-21(17)12-16/h1-13H,14H2,(H,26,28)
InChIKeyYUBBCSZIZQIZPQ-UHFFFAOYSA-N
XLogP3.17
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
(2S)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 1194304
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
CID 7996357
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7996359
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 8951439
N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 8636135
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
7-[2-(azocan-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 8806120
4-[[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 3337153
N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2496630

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide (CID 155543658) is N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide is O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The InChIKey is YUBBCSZIZQIZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O6/c28-22(26-27-24(30)18-8-4-5-9-19(18)25(27)31)14-32-16-10-11-17-20(15-6-2-1-3-7-15)13-23(29)33-21(17)12-16/h1-13H,14H2,(H,26,28).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide has a molecular weight of 440.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 155543658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).