N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide

C20H19NO5 — CID 2924830

IUPACN-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2ccc3oc(=O)cc(C)c3c2)cc1
InChIInChI=1S/C20H19NO5/c1-12-10-19(22)26-18-9-8-16(11-17(12)18)25-13(2)20(23)21-14-4-6-15(24-3)7-5-14/h4-11,13H,1-3H3,(H,21,23)
InChIKeyKISMWBXZTFFICH-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.52
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide

N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide (PubChem CID 2924830) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide
PubChem CID2924830
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2ccc3oc(=O)cc(C)c3c2)cc1
InChIInChI=1S/C20H19NO5/c1-12-10-19(22)26-18-9-8-16(11-17(12)18)25-13(2)20(23)21-14-4-6-15(24-3)7-5-14/h4-11,13H,1-3H3,(H,21,23)
InChIKeyKISMWBXZTFFICH-UHFFFAOYSA-N
XLogP3.52
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide (CID 2924830) is N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide is COc1ccc(NC(=O)C(C)Oc2ccc3oc(=O)cc(C)c3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide?
The InChIKey is KISMWBXZTFFICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-12-10-19(22)26-18-9-8-16(11-17(12)18)25-13(2)20(23)21-14-4-6-15(24-3)7-5-14/h4-11,13H,1-3H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide?
N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide has a molecular weight of 353.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxypropanamide is sourced from PubChem (CID 2924830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).