2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C26H34N2O4 — CID 4868974

IUPAC2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)c1C
InChIInChI=1S/C26H34N2O4/c1-13-9-19-22(23-21(13)14(2)16(4)31-23)15(3)18(24(30)32-19)10-20(29)27-17-11-25(5,6)28-26(7,8)12-17/h9,17,28H,10-12H2,1-8H3,(H,27,29)
InChIKeyXPKJELSMXXFKBS-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.74
Rot. Bonds3

About 2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 4868974) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID4868974
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)c1C
InChIInChI=1S/C26H34N2O4/c1-13-9-19-22(23-21(13)14(2)16(4)31-23)15(3)18(24(30)32-19)10-20(29)27-17-11-25(5,6)28-26(7,8)12-17/h9,17,28H,10-12H2,1-8H3,(H,27,29)
InChIKeyXPKJELSMXXFKBS-UHFFFAOYSA-N
XLogP4.74
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 4868974) is 2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c32)c1C.
What is the InChIKey of 2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is XPKJELSMXXFKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-13-9-19-22(23-21(13)14(2)16(4)31-23)15(3)18(24(30)32-19)10-20(29)27-17-11-25(5,6)28-26(7,8)12-17/h9,17,28H,10-12H2,1-8H3,(H,27,29).
What are the key properties of 2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 438.57 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 4868974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).