2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide

C25H28N2O5 — CID 3236162

IUPAC2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCc3ccc(C)cc3)ccc1O2
InChIInChI=1S/C25H28N2O5/c1-17-3-5-19(6-4-17)15-26-24(30)16-31-20-7-8-23-21(13-20)22(29)14-25(32-23)9-11-27(12-10-25)18(2)28/h3-8,13H,9-12,14-16H2,1-2H3,(H,26,30)
InChIKeyLTDIMIUZRAXQDV-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.04
Rot. Bonds5

About 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide

2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 3236162) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
PubChem CID3236162
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCc3ccc(C)cc3)ccc1O2
InChIInChI=1S/C25H28N2O5/c1-17-3-5-19(6-4-17)15-26-24(30)16-31-20-7-8-23-21(13-20)22(29)14-25(32-23)9-11-27(12-10-25)18(2)28/h3-8,13H,9-12,14-16H2,1-2H3,(H,26,30)
InChIKeyLTDIMIUZRAXQDV-UHFFFAOYSA-N
XLogP3.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide (CID 3236162) is 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide is CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCc3ccc(C)cc3)ccc1O2.
What is the InChIKey of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is LTDIMIUZRAXQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-17-3-5-19(6-4-17)15-26-24(30)16-31-20-7-8-23-21(13-20)22(29)14-25(32-23)9-11-27(12-10-25)18(2)28/h3-8,13H,9-12,14-16H2,1-2H3,(H,26,30).
What are the key properties of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 3236162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).