2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide

C20H14N2O5 — CID 19166972

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc12
InChIInChI=1S/C20H14N2O5/c1-11-8-18(24)27-16-9-12(6-7-13(11)16)21-17(23)10-22-19(25)14-4-2-3-5-15(14)20(22)26/h2-9H,10H2,1H3,(H,21,23)
InChIKeyFZGZXLAZVZUOGL-UHFFFAOYSA-N
MW362.34 g/mol
LogP2.34
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 19166972) has the molecular formula C20H14N2O5 and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID19166972
Molecular FormulaC20H14N2O5
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc12
InChIInChI=1S/C20H14N2O5/c1-11-8-18(24)27-16-9-12(6-7-13(11)16)21-17(23)10-22-19(25)14-4-2-3-5-15(14)20(22)26/h2-9H,10H2,1H3,(H,21,23)
InChIKeyFZGZXLAZVZUOGL-UHFFFAOYSA-N
XLogP2.34
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide
CID 134144958
N-(4-methyl-2-oxochromen-7-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 17488318
N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 16580683
4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154337756
2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 110427972
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 19166972) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide is Cc1cc(=O)oc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc12.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is FZGZXLAZVZUOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O5/c1-11-8-18(24)27-16-9-12(6-7-13(11)16)21-17(23)10-22-19(25)14-4-2-3-5-15(14)20(22)26/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 362.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 19166972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).