(6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one

C20H23NO3 — CID 25182706

IUPAC(6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCOc1ccc([C@H](C)N2CC[C@@](C)(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C20H23NO3/c1-15(16-9-11-18(23-3)12-10-16)21-14-13-20(2,24-19(21)22)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3/t15-,20-/m0/s1
InChIKeyGIXQDYLLNHGWNS-YWZLYKJASA-N
MW325.41 g/mol
LogP4.51
Rot. Bonds4

About (6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one

(6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (PubChem CID 25182706) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
PubChem CID25182706
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCOc1ccc([C@H](C)N2CC[C@@](C)(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C20H23NO3/c1-15(16-9-11-18(23-3)12-10-16)21-14-13-20(2,24-19(21)22)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3/t15-,20-/m0/s1
InChIKeyGIXQDYLLNHGWNS-YWZLYKJASA-N
XLogP4.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (CID 25182706) is (6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is COc1ccc([C@H](C)N2CC[C@@](C)(c3ccccc3)OC2=O)cc1.
What is the InChIKey of (6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is GIXQDYLLNHGWNS-YWZLYKJASA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(16-9-11-18(23-3)12-10-16)21-14-13-20(2,24-19(21)22)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3/t15-,20-/m0/s1.
What are the key properties of (6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
(6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 325.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25182706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).