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

C18H15NO4 — CID 1245453

IUPAC3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C18H15NO4/c1-11-8-17(20)23-16-10-13(6-7-15(11)16)19-18(21)12-4-3-5-14(9-12)22-2/h3-10H,1-2H3,(H,19,21)
InChIKeySTUBCOITUJKSQS-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.36
Rot. Bonds3

About 3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide

3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide (PubChem CID 1245453) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
PubChem CID1245453
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C18H15NO4/c1-11-8-17(20)23-16-10-13(6-7-15(11)16)19-18(21)12-4-3-5-14(9-12)22-2/h3-10H,1-2H3,(H,19,21)
InChIKeySTUBCOITUJKSQS-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 3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide (CID 1245453) is 3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide is COc1cccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1.
What is the InChIKey of 3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The InChIKey is STUBCOITUJKSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11-8-17(20)23-16-10-13(6-7-15(11)16)19-18(21)12-4-3-5-14(9-12)22-2/h3-10H,1-2H3,(H,19,21).
What are the key properties of 3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide?
3-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 3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide is sourced from PubChem (CID 1245453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).