1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone

C23H28N2O2 — CID 92610246

IUPAC1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone
SMILESCNC1CCC2(CC1)CN(C(=O)Cc1ccccc1)Cc1ccccc1O2
InChIInChI=1S/C23H28N2O2/c1-24-20-11-13-23(14-12-20)17-25(16-19-9-5-6-10-21(19)27-23)22(26)15-18-7-3-2-4-8-18/h2-10,20,24H,11-17H2,1H3
InChIKeyCWSBKZACDALVOX-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.55
Rot. Bonds3

About 1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone

1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone (PubChem CID 92610246) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone
PubChem CID92610246
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone
SMILESCNC1CCC2(CC1)CN(C(=O)Cc1ccccc1)Cc1ccccc1O2
InChIInChI=1S/C23H28N2O2/c1-24-20-11-13-23(14-12-20)17-25(16-19-9-5-6-10-21(19)27-23)22(26)15-18-7-3-2-4-8-18/h2-10,20,24H,11-17H2,1H3
InChIKeyCWSBKZACDALVOX-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-3-methylphenyl)-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]methanone
CID 92561348
1-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propan-1-one
CID 91919626
2-chloro-1-spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclobutane]-4-ylethanone
CID 166407522
N-(4-butanoylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)-N-methylacetamide
CID 92586728
N-[4-(3,3-dimethylbutanoyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]-N-methylacetamide
CID 92548762
N-(4-acetylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)-N-methylacetamide
CID 92550106
1-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-2-phenoxyethanone
CID 91919618
N-[4-(2-ethoxyacetyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]-N-methylacetamide
CID 92593061
1-[4'-(dimethylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92606788
2-(3-fluorophenyl)-N-methyl-N-(4-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide
CID 92609249
2-amino-1-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-3-phenylpropan-1-one
CID 110234773
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108

Frequently Asked Questions

What is the IUPAC name of 1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone?
The IUPAC name of 1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone (CID 92610246) is 1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone?
The canonical SMILES for 1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone is CNC1CCC2(CC1)CN(C(=O)Cc1ccccc1)Cc1ccccc1O2.
What is the InChIKey of 1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone?
The InChIKey is CWSBKZACDALVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-24-20-11-13-23(14-12-20)17-25(16-19-9-5-6-10-21(19)27-23)22(26)15-18-7-3-2-4-8-18/h2-10,20,24H,11-17H2,1H3.
What are the key properties of 1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone?
1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone has a molecular weight of 364.49 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]-2-phenylethanone is sourced from PubChem (CID 92610246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).