tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate

C18H25NO4 — CID 101004794

IUPACtert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate
SMILESCCC1(C)CC(=O)N(C(=O)OC(C)(C)C)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H25NO4/c1-6-18(5)12-14(20)19(16(21)23-17(2,3)4)15(22-18)13-10-8-7-9-11-13/h7-11,15H,6,12H2,1-5H3/t15-,18?/m0/s1
InChIKeySEUQXSRAUWAOLK-BUSXIPJBSA-N
MW319.40 g/mol
LogP4.04
Rot. Bonds2

About tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate

tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate (PubChem CID 101004794) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate
PubChem CID101004794
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nametert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate
SMILESCCC1(C)CC(=O)N(C(=O)OC(C)(C)C)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H25NO4/c1-6-18(5)12-14(20)19(16(21)23-17(2,3)4)15(22-18)13-10-8-7-9-11-13/h7-11,15H,6,12H2,1-5H3/t15-,18?/m0/s1
InChIKeySEUQXSRAUWAOLK-BUSXIPJBSA-N
XLogP4.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-6-methyl-6-(3-nitrophenyl)-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate
CID 101004795
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 76781392
tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 101218621
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
CID 57172528
tert-butyl 4,4-dimethyl-2,5-dioxo-3-(phenylsulfanylmethyl)imidazolidine-1-carboxylate
CID 11530403
tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 77450449
(2S)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 67159799
tert-butyl (2S,3S)-3-hydroxy-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 142524678

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate?
The IUPAC name of tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate (CID 101004794) is tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate.
What is the SMILES notation for tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate?
The canonical SMILES for tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate is CCC1(C)CC(=O)N(C(=O)OC(C)(C)C)[C@H](c2ccccc2)O1.
What is the InChIKey of tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate?
The InChIKey is SEUQXSRAUWAOLK-BUSXIPJBSA-N. The full InChI is InChI=1S/C18H25NO4/c1-6-18(5)12-14(20)19(16(21)23-17(2,3)4)15(22-18)13-10-8-7-9-11-13/h7-11,15H,6,12H2,1-5H3/t15-,18?/m0/s1.
What are the key properties of tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate?
tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate is sourced from PubChem (CID 101004794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).