(6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one

C24H29NO2 — CID 58109579

IUPAC(6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESC=Cc1ccc([C@H](C)N2CC[C@](CCCC)(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C24H29NO2/c1-4-6-16-24(22-10-8-7-9-11-22)17-18-25(23(26)27-24)19(3)21-14-12-20(5-2)13-15-21/h5,7-15,19H,2,4,6,16-18H2,1,3H3/t19-,24+/m0/s1
InChIKeyARPFJHOCXAWVFP-YADARESESA-N
MW363.50 g/mol
LogP6.32
Rot. Bonds7

About (6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one

(6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one (PubChem CID 58109579) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one
PubChem CID58109579
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESC=Cc1ccc([C@H](C)N2CC[C@](CCCC)(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C24H29NO2/c1-4-6-16-24(22-10-8-7-9-11-22)17-18-25(23(26)27-24)19(3)21-14-12-20(5-2)13-15-21/h5,7-15,19H,2,4,6,16-18H2,1,3H3/t19-,24+/m0/s1
InChIKeyARPFJHOCXAWVFP-YADARESESA-N
XLogP6.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-[4-(hydroxymethyl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 66857258
3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanal
CID 90711473
6-(2-hydroxyethyl)-6-phenyl-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3-oxazinan-2-one
CID 66857539
6-butyl-6-(4-fluorophenyl)-3-[1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 91576367
3-[(6R)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid
CID 70952824
6-phenyl-6-prop-2-enyl-3-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 67019714
(6R)-3-[(1S)-1-[4-(2-hydroxy-2-methylpropyl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 58109698
(6R)-6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 59635752
(6R)-6-(3-hydroxypropyl)-6-phenyl-3-[(1S)-1-(4-pyridin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 58109704
N-[3-[3-[1-[4-(4-fluorophenyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propyl]methanesulfonamide
CID 91603450
6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-methylpyrazol-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66857750
(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(2-methylprop-2-enyl)-6-phenyl-1,3-oxazinan-2-one
CID 59532373

Frequently Asked Questions

What is the IUPAC name of (6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one (CID 58109579) is (6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one is C=Cc1ccc([C@H](C)N2CC[C@](CCCC)(c3ccccc3)OC2=O)cc1.
What is the InChIKey of (6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is ARPFJHOCXAWVFP-YADARESESA-N. The full InChI is InChI=1S/C24H29NO2/c1-4-6-16-24(22-10-8-7-9-11-22)17-18-25(23(26)27-24)19(3)21-14-12-20(5-2)13-15-21/h5,7-15,19H,2,4,6,16-18H2,1,3H3/t19-,24+/m0/s1.
What are the key properties of (6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one?
(6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 363.50 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-butyl-3-[(1S)-1-(4-ethenylphenyl)ethyl]-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 58109579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).