2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide

C25H37N3O3 — CID 46879578

IUPAC2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)OC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C25H37N3O3/c1-26-23(29)19-28-22-14-10-9-13-21(22)25(31-24(28)30)15-17-27(18-16-25)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20H,2-8,11-12,15-19H2,1H3,(H,26,29)
InChIKeyWCIVSVZBQLCKAD-UHFFFAOYSA-N
MW427.59 g/mol
LogP4.57
Rot. Bonds3

About 2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide

2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide (PubChem CID 46879578) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is 2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide
PubChem CID46879578
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)OC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C25H37N3O3/c1-26-23(29)19-28-22-14-10-9-13-21(22)25(31-24(28)30)15-17-27(18-16-25)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20H,2-8,11-12,15-19H2,1H3,(H,26,29)
InChIKeyWCIVSVZBQLCKAD-UHFFFAOYSA-N
XLogP4.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide?
The IUPAC name of 2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide (CID 46879578) is 2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide is CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21.
What is the InChIKey of 2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide?
The InChIKey is WCIVSVZBQLCKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-26-23(29)19-28-22-14-10-9-13-21(22)25(31-24(28)30)15-17-27(18-16-25)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20H,2-8,11-12,15-19H2,1H3,(H,26,29).
What are the key properties of 2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide?
2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide has a molecular weight of 427.59 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide is sourced from PubChem (CID 46879578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).