2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide

C18H15NO4 — CID 681811

IUPAC2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C18H15NO4/c1-11-9-17(20)23-16-10-12(7-8-13(11)16)19-18(21)14-5-3-4-6-15(14)22-2/h3-10H,1-2H3,(H,19,21)
InChIKeyBUEUUNZKRKEIHH-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.36
Rot. Bonds3

About 2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide

2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide (PubChem CID 681811) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
PubChem CID681811
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C18H15NO4/c1-11-9-17(20)23-16-10-12(7-8-13(11)16)19-18(21)14-5-3-4-6-15(14)22-2/h3-10H,1-2H3,(H,19,21)
InChIKeyBUEUUNZKRKEIHH-UHFFFAOYSA-N
XLogP3.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.36
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-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The IUPAC name of 2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide (CID 681811) is 2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide is COc1ccccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The InChIKey is BUEUUNZKRKEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11-9-17(20)23-16-10-12(7-8-13(11)16)19-18(21)14-5-3-4-6-15(14)22-2/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide has a molecular weight of 309.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide is sourced from PubChem (CID 681811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).