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

C24H19NO5 — CID 1345414

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc12
InChIInChI=1S/C24H19NO5/c1-16-13-24(27)30-22-14-20(11-12-21(16)22)28-15-23(26)25-17-7-9-19(10-8-17)29-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,25,26)
InChIKeyZAOSQRONCSGTPT-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.91
Rot. Bonds6

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

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide (PubChem CID 1345414) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide
PubChem CID1345414
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc12
InChIInChI=1S/C24H19NO5/c1-16-13-24(27)30-22-14-20(11-12-21(16)22)28-15-23(26)25-17-7-9-19(10-8-17)29-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,25,26)
InChIKeyZAOSQRONCSGTPT-UHFFFAOYSA-N
XLogP4.91
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.91
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 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide (CID 1345414) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide?
The InChIKey is ZAOSQRONCSGTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-16-13-24(27)30-22-14-20(11-12-21(16)22)28-15-23(26)25-17-7-9-19(10-8-17)29-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide has a molecular weight of 401.42 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 1345414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).