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

C25H32N2O4 — CID 4869895

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c12
InChIInChI=1S/C25H32N2O4/c1-13-8-18-21(22-20(13)14(2)12-30-22)15(3)17(23(29)31-18)9-19(28)26-16-10-24(4,5)27-25(6,7)11-16/h8,12,16,27H,9-11H2,1-7H3,(H,26,28)
InChIKeyVRDGNIBEZYQITM-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.43
Rot. Bonds3

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

N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide (PubChem CID 4869895) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
PubChem CID4869895
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c12
InChIInChI=1S/C25H32N2O4/c1-13-8-18-21(22-20(13)14(2)12-30-22)15(3)17(23(29)31-18)9-19(28)26-16-10-24(4,5)27-25(6,7)11-16/h8,12,16,27H,9-11H2,1-7H3,(H,26,28)
InChIKeyVRDGNIBEZYQITM-UHFFFAOYSA-N
XLogP4.43
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.43
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 N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide (CID 4869895) is N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide is Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c12.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The InChIKey is VRDGNIBEZYQITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-13-8-18-21(22-20(13)14(2)12-30-22)15(3)17(23(29)31-18)9-19(28)26-16-10-24(4,5)27-25(6,7)11-16/h8,12,16,27H,9-11H2,1-7H3,(H,26,28).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide has a molecular weight of 424.54 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide is sourced from PubChem (CID 4869895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).