N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide

C15H15NO6 — CID 11623661

IUPACN-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide
SMILESCOc1c(OCC(C)=O)ccc2cc(NC(C)=O)c(=O)oc12
InChIInChI=1S/C15H15NO6/c1-8(17)7-21-12-5-4-10-6-11(16-9(2)18)15(19)22-13(10)14(12)20-3/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyBPSQKFACFYVPBO-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.73
Rot. Bonds5

About N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide

N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide (PubChem CID 11623661) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide.

Molecular Properties

Compound NameN-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide
PubChem CID11623661
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC NameN-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide
SMILESCOc1c(OCC(C)=O)ccc2cc(NC(C)=O)c(=O)oc12
InChIInChI=1S/C15H15NO6/c1-8(17)7-21-12-5-4-10-6-11(16-9(2)18)15(19)22-13(10)14(12)20-3/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeyBPSQKFACFYVPBO-UHFFFAOYSA-N
XLogP1.73
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide?
The IUPAC name of N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide (CID 11623661) is N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide.
What is the SMILES notation for N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide?
The canonical SMILES for N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide is COc1c(OCC(C)=O)ccc2cc(NC(C)=O)c(=O)oc12.
What is the InChIKey of N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide?
The InChIKey is BPSQKFACFYVPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c1-8(17)7-21-12-5-4-10-6-11(16-9(2)18)15(19)22-13(10)14(12)20-3/h4-6H,7H2,1-3H3,(H,16,18).
What are the key properties of N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide?
N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide has a molecular weight of 305.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methoxy-2-oxo-7-(2-oxopropoxy)chromen-3-yl]acetamide is sourced from PubChem (CID 11623661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).