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

C25H37N3O3 — CID 46879630

IUPAC2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C25H37N3O3/c1-24(2,3)18-9-11-19(12-10-18)27-15-13-25(14-16-27)20-7-5-6-8-21(20)28(23(30)31-25)17-22(29)26-4/h5-8,18-19H,9-17H2,1-4H3,(H,26,29)
InChIKeyQADYXKXNIZNKPA-UHFFFAOYSA-N
MW427.59 g/mol
LogP4.29
Rot. Bonds3

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

2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide (PubChem CID 46879630) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is 2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide
PubChem CID46879630
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C25H37N3O3/c1-24(2,3)18-9-11-19(12-10-18)27-15-13-25(14-16-27)20-7-5-6-8-21(20)28(23(30)31-25)17-22(29)26-4/h5-8,18-19H,9-17H2,1-4H3,(H,26,29)
InChIKeyQADYXKXNIZNKPA-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide 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-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide?
The IUPAC name of 2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide (CID 46879630) is 2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide is CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21.
What is the InChIKey of 2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide?
The InChIKey is QADYXKXNIZNKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-24(2,3)18-9-11-19(12-10-18)27-15-13-25(14-16-27)20-7-5-6-8-21(20)28(23(30)31-25)17-22(29)26-4/h5-8,18-19H,9-17H2,1-4H3,(H,26,29).
What are the key properties of 2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide?
2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide has a molecular weight of 427.59 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide is sourced from PubChem (CID 46879630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).