3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide

C23H19NO4 — CID 16649088

IUPAC3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide
SMILESCc1ccc(-c2ccc(CCC(=O)Nc3ccc4oc(=O)ccc4c3)o2)cc1
InChIInChI=1S/C23H19NO4/c1-15-2-4-16(5-3-15)20-11-8-19(27-20)9-12-22(25)24-18-7-10-21-17(14-18)6-13-23(26)28-21/h2-8,10-11,13-14H,9,12H2,1H3,(H,24,25)
InChIKeyGQSTYBGAOBKDGJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.93
Rot. Bonds5

About 3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide

3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide (PubChem CID 16649088) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide
PubChem CID16649088
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide
SMILESCc1ccc(-c2ccc(CCC(=O)Nc3ccc4oc(=O)ccc4c3)o2)cc1
InChIInChI=1S/C23H19NO4/c1-15-2-4-16(5-3-15)20-11-8-19(27-20)9-12-22(25)24-18-7-10-21-17(14-18)6-13-23(26)28-21/h2-8,10-11,13-14H,9,12H2,1H3,(H,24,25)
InChIKeyGQSTYBGAOBKDGJ-UHFFFAOYSA-N
XLogP4.93
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.93
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 3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide (CID 16649088) is 3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide is Cc1ccc(-c2ccc(CCC(=O)Nc3ccc4oc(=O)ccc4c3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide?
The InChIKey is GQSTYBGAOBKDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-15-2-4-16(5-3-15)20-11-8-19(27-20)9-12-22(25)24-18-7-10-21-17(14-18)6-13-23(26)28-21/h2-8,10-11,13-14H,9,12H2,1H3,(H,24,25).
What are the key properties of 3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide?
3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide has a molecular weight of 373.41 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)furan-2-yl]-N-(2-oxochromen-6-yl)propanamide is sourced from PubChem (CID 16649088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).