2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide

C23H25NO6 — CID 4869966

IUPAC2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccco4)c12)OC(C)(C)CC3
InChIInChI=1S/C23H25NO6/c1-4-14-10-20(26)29-22-16-7-8-23(2,3)30-17(16)11-18(21(14)22)28-13-19(25)24-12-15-6-5-9-27-15/h5-6,9-11H,4,7-8,12-13H2,1-3H3,(H,24,25)
InChIKeyQSOLSFFTLVCXIB-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.75
Rot. Bonds6

About 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide

2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide (PubChem CID 4869966) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide
PubChem CID4869966
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Name2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccco4)c12)OC(C)(C)CC3
InChIInChI=1S/C23H25NO6/c1-4-14-10-20(26)29-22-16-7-8-23(2,3)30-17(16)11-18(21(14)22)28-13-19(25)24-12-15-6-5-9-27-15/h5-6,9-11H,4,7-8,12-13H2,1-3H3,(H,24,25)
InChIKeyQSOLSFFTLVCXIB-UHFFFAOYSA-N
XLogP3.75
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.75
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 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide (CID 4869966) is 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide is CCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccco4)c12)OC(C)(C)CC3.
What is the InChIKey of 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QSOLSFFTLVCXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-4-14-10-20(26)29-22-16-7-8-23(2,3)30-17(16)11-18(21(14)22)28-13-19(25)24-12-15-6-5-9-27-15/h5-6,9-11H,4,7-8,12-13H2,1-3H3,(H,24,25).
What are the key properties of 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide?
2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 411.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4869966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).