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

C24H23NO3 — CID 25181597

IUPAC3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCOc1cccc(-c2cccc(N3CCC(C)(c4ccccc4)OC3=O)c2)c1
InChIInChI=1S/C24H23NO3/c1-24(20-10-4-3-5-11-20)14-15-25(23(26)28-24)21-12-6-8-18(16-21)19-9-7-13-22(17-19)27-2/h3-13,16-17H,14-15H2,1-2H3
InChIKeyFMFCPPMAYOGHKS-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.62
Rot. Bonds4

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

3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (PubChem CID 25181597) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
PubChem CID25181597
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCOc1cccc(-c2cccc(N3CCC(C)(c4ccccc4)OC3=O)c2)c1
InChIInChI=1S/C24H23NO3/c1-24(20-10-4-3-5-11-20)14-15-25(23(26)28-24)21-12-6-8-18(16-21)19-9-7-13-22(17-19)27-2/h3-13,16-17H,14-15H2,1-2H3
InChIKeyFMFCPPMAYOGHKS-UHFFFAOYSA-N
XLogP5.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (CID 25181597) is 3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is COc1cccc(-c2cccc(N3CCC(C)(c4ccccc4)OC3=O)c2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is FMFCPPMAYOGHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-24(20-10-4-3-5-11-20)14-15-25(23(26)28-24)21-12-6-8-18(16-21)19-9-7-13-22(17-19)27-2/h3-13,16-17H,14-15H2,1-2H3.
What are the key properties of 3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 373.45 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25181597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).