6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one

C18H20N2O2 — CID 68605942

IUPAC6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one
SMILESCN1CC(c2ccccc2)OC(c2ccccc2)C(N)C1=O
InChIInChI=1S/C18H20N2O2/c1-20-12-15(13-8-4-2-5-9-13)22-17(16(19)18(20)21)14-10-6-3-7-11-14/h2-11,15-17H,12,19H2,1H3
InChIKeyRRYIUQDOLDYOPT-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.28
Rot. Bonds2

About 6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one

6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one (PubChem CID 68605942) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one.

Molecular Properties

Compound Name6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one
PubChem CID68605942
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one
SMILESCN1CC(c2ccccc2)OC(c2ccccc2)C(N)C1=O
InChIInChI=1S/C18H20N2O2/c1-20-12-15(13-8-4-2-5-9-13)22-17(16(19)18(20)21)14-10-6-3-7-11-14/h2-11,15-17H,12,19H2,1H3
InChIKeyRRYIUQDOLDYOPT-UHFFFAOYSA-N
XLogP2.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diphenyloxan-4-one
CID 500287
(2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine
CID 10012771
(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-phenylmethanone
CID 110740529
(2R,6S)-2,4,6-triphenylmorpholine
CID 102292623
3-methyl-5-phenyl-1,3-oxazolidin-2-imine
CID 3058501
(6R)-4-benzyl-2-hydroxy-6-phenylmorpholin-3-one
CID 101359131
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine
CID 110740568
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
(3R,5R)-3-amino-5-phenyloxolan-2-one
CID 12521195
(4S,5S)-4-hydroxy-2-methyl-5-phenyl-1,2-oxazolidin-3-one
CID 131102376
3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
CID 125130229

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one?
The IUPAC name of 6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one (CID 68605942) is 6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one.
What is the SMILES notation for 6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one?
The canonical SMILES for 6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one is CN1CC(c2ccccc2)OC(c2ccccc2)C(N)C1=O.
What is the InChIKey of 6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one?
The InChIKey is RRYIUQDOLDYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20-12-15(13-8-4-2-5-9-13)22-17(16(19)18(20)21)14-10-6-3-7-11-14/h2-11,15-17H,12,19H2,1H3.
What are the key properties of 6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one?
6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one has a molecular weight of 296.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one is sourced from PubChem (CID 68605942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).