3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide

C22H25FN2O3 — CID 58109407

IUPAC3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
SMILESCc1ccc([C@H](C)N2CC[C@](CCC(N)=O)(c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C22H25FN2O3/c1-15-3-5-17(6-4-15)16(2)25-14-13-22(28-21(25)27,12-11-20(24)26)18-7-9-19(23)10-8-18/h3-10,16H,11-14H2,1-2H3,(H2,24,26)/t16-,22+/m0/s1
InChIKeyHFORRWJJJMFERI-KSFYIVLOSA-N
MW384.45 g/mol
LogP4.20
Rot. Bonds6

About 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide

3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide (PubChem CID 58109407) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide.

Molecular Properties

Compound Name3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
PubChem CID58109407
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
SMILESCc1ccc([C@H](C)N2CC[C@](CCC(N)=O)(c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C22H25FN2O3/c1-15-3-5-17(6-4-15)16(2)25-14-13-22(28-21(25)27,12-11-20(24)26)18-7-9-19(23)10-8-18/h3-10,16H,11-14H2,1-2H3,(H2,24,26)/t16-,22+/m0/s1
InChIKeyHFORRWJJJMFERI-KSFYIVLOSA-N
XLogP4.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
The IUPAC name of 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide (CID 58109407) is 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide.
What is the SMILES notation for 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
The canonical SMILES for 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide is Cc1ccc([C@H](C)N2CC[C@](CCC(N)=O)(c3ccc(F)cc3)OC2=O)cc1.
What is the InChIKey of 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
The InChIKey is HFORRWJJJMFERI-KSFYIVLOSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-15-3-5-17(6-4-15)16(2)25-14-13-22(28-21(25)27,12-11-20(24)26)18-7-9-19(23)10-8-18/h3-10,16H,11-14H2,1-2H3,(H2,24,26)/t16-,22+/m0/s1.
What are the key properties of 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide has a molecular weight of 384.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide is sourced from PubChem (CID 58109407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).