2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide

C18H15NO4 — CID 969017

IUPAC2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C18H15NO4/c1-12-4-2-3-5-15(12)22-11-17(20)19-14-7-8-16-13(10-14)6-9-18(21)23-16/h2-10H,11H2,1H3,(H,19,20)
InChIKeyPVSXKQKEFZABHD-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.12
Rot. Bonds4

About 2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide

2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide (PubChem CID 969017) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide
PubChem CID969017
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C18H15NO4/c1-12-4-2-3-5-15(12)22-11-17(20)19-14-7-8-16-13(10-14)6-9-18(21)23-16/h2-10H,11H2,1H3,(H,19,20)
InChIKeyPVSXKQKEFZABHD-UHFFFAOYSA-N
XLogP3.12
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide (CID 969017) is 2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide is Cc1ccccc1OCC(=O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is PVSXKQKEFZABHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-12-4-2-3-5-15(12)22-11-17(20)19-14-7-8-16-13(10-14)6-9-18(21)23-16/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide has a molecular weight of 309.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 969017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).