N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

C21H23N3O3 — CID 20888402

IUPACN-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)c1C
InChIInChI=1S/C21H23N3O3/c1-14-6-5-8-17(15(14)2)22-20(26)24-12-10-21(11-13-24)23-19(25)16-7-3-4-9-18(16)27-21/h3-9H,10-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyYADTXRMOAMRSLJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.45
Rot. Bonds1

About N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide (PubChem CID 20888402) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
PubChem CID20888402
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)c1C
InChIInChI=1S/C21H23N3O3/c1-14-6-5-8-17(15(14)2)22-20(26)24-12-10-21(11-13-24)23-19(25)16-7-3-4-9-18(16)27-21/h3-9H,10-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyYADTXRMOAMRSLJ-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide (CID 20888402) is N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide is Cc1cccc(NC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide?
The InChIKey is YADTXRMOAMRSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-6-5-8-17(15(14)2)22-20(26)24-12-10-21(11-13-24)23-19(25)16-7-3-4-9-18(16)27-21/h3-9H,10-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide?
N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 20888402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).