N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide

C19H19NO5 — CID 735110

IUPACN,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1ccc2oc(-c3ccco3)cc(=O)c2c1
InChIInChI=1S/C19H19NO5/c1-3-20(4-2)19(22)12-24-13-7-8-16-14(10-13)15(21)11-18(25-16)17-6-5-9-23-17/h5-11H,3-4,12H2,1-2H3
InChIKeyOKKIBJUTCGXOCG-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.30
Rot. Bonds6

About N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide

N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide (PubChem CID 735110) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide
PubChem CID735110
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1ccc2oc(-c3ccco3)cc(=O)c2c1
InChIInChI=1S/C19H19NO5/c1-3-20(4-2)19(22)12-24-13-7-8-16-14(10-13)15(21)11-18(25-16)17-6-5-9-23-17/h5-11H,3-4,12H2,1-2H3
InChIKeyOKKIBJUTCGXOCG-UHFFFAOYSA-N
XLogP3.30
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide?
The IUPAC name of N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide (CID 735110) is N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide?
The canonical SMILES for N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide is CCN(CC)C(=O)COc1ccc2oc(-c3ccco3)cc(=O)c2c1.
What is the InChIKey of N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide?
The InChIKey is OKKIBJUTCGXOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-20(4-2)19(22)12-24-13-7-8-16-14(10-13)15(21)11-18(25-16)17-6-5-9-23-17/h5-11H,3-4,12H2,1-2H3.
What are the key properties of N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide?
N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide has a molecular weight of 341.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(furan-2-yl)-4-oxochromen-6-yl]oxyacetamide is sourced from PubChem (CID 735110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).