N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide

C25H27N3O6 — CID 42507265

IUPACN-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)OC2(CCN(C(C)=O)CC2)CC3=O)cc1
InChIInChI=1S/C25H27N3O6/c1-16(29)26-18-3-5-19(6-4-18)27-24(32)15-33-20-7-8-21-22(31)14-25(34-23(21)13-20)9-11-28(12-10-25)17(2)30/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,29)(H,27,32)
InChIKeyDGFOHUWXYRVRFQ-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.01
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide

N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide (PubChem CID 42507265) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide
PubChem CID42507265
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC NameN-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)OC2(CCN(C(C)=O)CC2)CC3=O)cc1
InChIInChI=1S/C25H27N3O6/c1-16(29)26-18-3-5-19(6-4-18)27-24(32)15-33-20-7-8-21-22(31)14-25(34-23(21)13-20)9-11-28(12-10-25)17(2)30/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,29)(H,27,32)
InChIKeyDGFOHUWXYRVRFQ-UHFFFAOYSA-N
XLogP3.01
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide (CID 42507265) is N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide is CC(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)OC2(CCN(C(C)=O)CC2)CC3=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide?
The InChIKey is DGFOHUWXYRVRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-16(29)26-18-3-5-19(6-4-18)27-24(32)15-33-20-7-8-21-22(31)14-25(34-23(21)13-20)9-11-28(12-10-25)17(2)30/h3-8,13H,9-12,14-15H2,1-2H3,(H,26,29)(H,27,32).
What are the key properties of N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide?
N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide has a molecular weight of 465.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide is sourced from PubChem (CID 42507265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).