2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide

C25H26N2O4 — CID 16830117

IUPAC2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide
SMILESCC1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)co1
InChIInChI=1S/C25H26N2O4/c1-18-13-20-9-5-6-10-22(20)27(18)15-21-14-23(28)24(16-30-21)31-17-25(29)26-12-11-19-7-3-2-4-8-19/h2-10,14,16,18H,11-13,15,17H2,1H3,(H,26,29)
InChIKeyAFNZIVKRLNXSBG-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.33
Rot. Bonds8

About 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide

2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide (PubChem CID 16830117) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide
PubChem CID16830117
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide
SMILESCC1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)co1
InChIInChI=1S/C25H26N2O4/c1-18-13-20-9-5-6-10-22(20)27(18)15-21-14-23(28)24(16-30-21)31-17-25(29)26-12-11-19-7-3-2-4-8-19/h2-10,14,16,18H,11-13,15,17H2,1H3,(H,26,29)
InChIKeyAFNZIVKRLNXSBG-UHFFFAOYSA-N
XLogP3.33
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide (CID 16830117) is 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide is CC1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)co1.
What is the InChIKey of 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
The InChIKey is AFNZIVKRLNXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18-13-20-9-5-6-10-22(20)27(18)15-21-14-23(28)24(16-30-21)31-17-25(29)26-12-11-19-7-3-2-4-8-19/h2-10,14,16,18H,11-13,15,17H2,1H3,(H,26,29).
What are the key properties of 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide has a molecular weight of 418.49 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 16830117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).