2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide

C17H20N2O6 — CID 166604078

IUPAC2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide
SMILESCCCCc1cc(=O)oc2c(OCC(N)=O)c(OCC(N)=O)ccc12
InChIInChI=1S/C17H20N2O6/c1-2-3-4-10-7-15(22)25-16-11(10)5-6-12(23-8-13(18)20)17(16)24-9-14(19)21/h5-7H,2-4,8-9H2,1H3,(H2,18,20)(H2,19,21)
InChIKeyWHZGOGUQTKMTPG-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.86
Rot. Bonds9

About 2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide

2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide (PubChem CID 166604078) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound Name2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide
PubChem CID166604078
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide
SMILESCCCCc1cc(=O)oc2c(OCC(N)=O)c(OCC(N)=O)ccc12
InChIInChI=1S/C17H20N2O6/c1-2-3-4-10-7-15(22)25-16-11(10)5-6-12(23-8-13(18)20)17(16)24-9-14(19)21/h5-7H,2-4,8-9H2,1H3,(H2,18,20)(H2,19,21)
InChIKeyWHZGOGUQTKMTPG-UHFFFAOYSA-N
XLogP0.86
TPSA134.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
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 2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide?
The IUPAC name of 2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide (CID 166604078) is 2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for 2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for 2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide is CCCCc1cc(=O)oc2c(OCC(N)=O)c(OCC(N)=O)ccc12.
What is the InChIKey of 2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide?
The InChIKey is WHZGOGUQTKMTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-2-3-4-10-7-15(22)25-16-11(10)5-6-12(23-8-13(18)20)17(16)24-9-14(19)21/h5-7H,2-4,8-9H2,1H3,(H2,18,20)(H2,19,21).
What are the key properties of 2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide?
2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide has a molecular weight of 348.36 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 166604078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).