[(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone

C18H25NO3 — CID 125170177

IUPAC[(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone
SMILESCc1ccccc1COC1CN(C(=O)[C@@]2(C)CCCCO2)C1
InChIInChI=1S/C18H25NO3/c1-14-7-3-4-8-15(14)13-21-16-11-19(12-16)17(20)18(2)9-5-6-10-22-18/h3-4,7-8,16H,5-6,9-13H2,1-2H3/t18-/m1/s1
InChIKeyYTKNMNNBEVMVGU-GOSISDBHSA-N
MW303.40 g/mol
LogP2.68
Rot. Bonds4

About [(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone

[(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone (PubChem CID 125170177) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone
PubChem CID125170177
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone
SMILESCc1ccccc1COC1CN(C(=O)[C@@]2(C)CCCCO2)C1
InChIInChI=1S/C18H25NO3/c1-14-7-3-4-8-15(14)13-21-16-11-19(12-16)17(20)18(2)9-5-6-10-22-18/h3-4,7-8,16H,5-6,9-13H2,1-2H3/t18-/m1/s1
InChIKeyYTKNMNNBEVMVGU-GOSISDBHSA-N
XLogP2.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone?
The IUPAC name of [(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone (CID 125170177) is [(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for [(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone?
The canonical SMILES for [(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone is Cc1ccccc1COC1CN(C(=O)[C@@]2(C)CCCCO2)C1.
What is the InChIKey of [(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone?
The InChIKey is YTKNMNNBEVMVGU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14-7-3-4-8-15(14)13-21-16-11-19(12-16)17(20)18(2)9-5-6-10-22-18/h3-4,7-8,16H,5-6,9-13H2,1-2H3/t18-/m1/s1.
What are the key properties of [(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone?
[(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone has a molecular weight of 303.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 125170177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).