2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide

C20H19NO4 — CID 907575

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCCc3ccccc3)ccc12
InChIInChI=1S/C20H19NO4/c1-14-11-20(23)25-18-12-16(7-8-17(14)18)24-13-19(22)21-10-9-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,21,22)
InChIKeyYYXDPXCCFCWHLC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.84
Rot. Bonds6

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide (PubChem CID 907575) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide
PubChem CID907575
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCCc3ccccc3)ccc12
InChIInChI=1S/C20H19NO4/c1-14-11-20(23)25-18-12-16(7-8-17(14)18)24-13-19(22)21-10-9-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,21,22)
InChIKeyYYXDPXCCFCWHLC-UHFFFAOYSA-N
XLogP2.84
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.84
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-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide (CID 907575) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide is Cc1cc(=O)oc2cc(OCC(=O)NCCc3ccccc3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide?
The InChIKey is YYXDPXCCFCWHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14-11-20(23)25-18-12-16(7-8-17(14)18)24-13-19(22)21-10-9-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,21,22).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 907575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).