3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one

C19H27NO3 — CID 25173691

IUPAC3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one
SMILESCC(Oc1ccc(CN2CCCOC2=O)cc1)C1CCCCC1
InChIInChI=1S/C19H27NO3/c1-15(17-6-3-2-4-7-17)23-18-10-8-16(9-11-18)14-20-12-5-13-22-19(20)21/h8-11,15,17H,2-7,12-14H2,1H3
InChIKeyKQEMZKYLAXZLML-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.38
Rot. Bonds5

About 3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one

3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one (PubChem CID 25173691) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one
PubChem CID25173691
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one
SMILESCC(Oc1ccc(CN2CCCOC2=O)cc1)C1CCCCC1
InChIInChI=1S/C19H27NO3/c1-15(17-6-3-2-4-7-17)23-18-10-8-16(9-11-18)14-20-12-5-13-22-19(20)21/h8-11,15,17H,2-7,12-14H2,1H3
InChIKeyKQEMZKYLAXZLML-UHFFFAOYSA-N
XLogP4.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one (CID 25173691) is 3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one is CC(Oc1ccc(CN2CCCOC2=O)cc1)C1CCCCC1.
What is the InChIKey of 3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one?
The InChIKey is KQEMZKYLAXZLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-15(17-6-3-2-4-7-17)23-18-10-8-16(9-11-18)14-20-12-5-13-22-19(20)21/h8-11,15,17H,2-7,12-14H2,1H3.
What are the key properties of 3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one?
3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one has a molecular weight of 317.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 25173691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).