3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide

C21H23BrN2O3 — CID 66600447

IUPAC3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide
SMILESC[C@@H](c1ccc(Br)cc1)N1CC[C@@](CCC(N)=O)(c2ccccc2)OC1=O
InChIInChI=1S/C21H23BrN2O3/c1-15(16-7-9-18(22)10-8-16)24-14-13-21(27-20(24)26,12-11-19(23)25)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,23,25)/t15-,21-/m0/s1
InChIKeyHRXRHRNAIUQCGI-BTYIYWSLSA-N
MW431.33 g/mol
LogP4.51
Rot. Bonds6

About 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide

3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide (PubChem CID 66600447) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide.

Molecular Properties

Compound Name3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide
PubChem CID66600447
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC Name3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide
SMILESC[C@@H](c1ccc(Br)cc1)N1CC[C@@](CCC(N)=O)(c2ccccc2)OC1=O
InChIInChI=1S/C21H23BrN2O3/c1-15(16-7-9-18(22)10-8-16)24-14-13-21(27-20(24)26,12-11-19(23)25)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,23,25)/t15-,21-/m0/s1
InChIKeyHRXRHRNAIUQCGI-BTYIYWSLSA-N
XLogP4.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide?
The IUPAC name of 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide (CID 66600447) is 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide.
What is the SMILES notation for 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide?
The canonical SMILES for 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide is C[C@@H](c1ccc(Br)cc1)N1CC[C@@](CCC(N)=O)(c2ccccc2)OC1=O.
What is the InChIKey of 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide?
The InChIKey is HRXRHRNAIUQCGI-BTYIYWSLSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c1-15(16-7-9-18(22)10-8-16)24-14-13-21(27-20(24)26,12-11-19(23)25)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,23,25)/t15-,21-/m0/s1.
What are the key properties of 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide?
3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide has a molecular weight of 431.33 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanamide is sourced from PubChem (CID 66600447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).