(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one

C23H30N2O2 — CID 70933280

IUPAC(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESCc1ccc([C@H](C)N2CC[C@](CC(C)(C)N)(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C23H30N2O2/c1-17-10-12-19(13-11-17)18(2)25-15-14-23(27-21(25)26,16-22(3,4)24)20-8-6-5-7-9-20/h5-13,18H,14-16,24H2,1-4H3/t18-,23-/m0/s1
InChIKeyGOWFHRBKSDOGSG-MBSDFSHPSA-N
MW366.51 g/mol
LogP4.92
Rot. Bonds5

About (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one

(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one (PubChem CID 70933280) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one
PubChem CID70933280
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESCc1ccc([C@H](C)N2CC[C@](CC(C)(C)N)(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C23H30N2O2/c1-17-10-12-19(13-11-17)18(2)25-15-14-23(27-21(25)26,16-22(3,4)24)20-8-6-5-7-9-20/h5-13,18H,14-16,24H2,1-4H3/t18-,23-/m0/s1
InChIKeyGOWFHRBKSDOGSG-MBSDFSHPSA-N
XLogP4.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 59635681
3-[(6R)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid
CID 70952824
3-[(1S)-1-(4-ethynylphenyl)ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 87184778
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66601031
6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one
CID 66857539
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 91065967
6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(3-hydroxy-2,2,3-trimethylbutyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 91342326
6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazine-3-carboxylic acid
CID 67446432
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 66600626
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 67019752
2,2-dimethyl-3-[2-oxo-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-6-yl]propanenitrile
CID 66600982
(6R)-6-(2,2-dimethylbut-3-ynyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 73427554

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one (CID 70933280) is (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one is Cc1ccc([C@H](C)N2CC[C@](CC(C)(C)N)(c3ccccc3)OC2=O)cc1.
What is the InChIKey of (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is GOWFHRBKSDOGSG-MBSDFSHPSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-10-12-19(13-11-17)18(2)25-15-14-23(27-21(25)26,16-22(3,4)24)20-8-6-5-7-9-20/h5-13,18H,14-16,24H2,1-4H3/t18-,23-/m0/s1.
What are the key properties of (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one?
(6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 366.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 70933280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).