[(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

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

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Related Compounds

1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97189789
(2-methyloxan-2-yl)-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 70713244
1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 72840326
1-[2-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]-2-oxoethyl]azepan-2-one
CID 72842921
(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70711001
N-(2,6-dimethyl-3-pyridinyl)-3-[(2-methylphenyl)methoxy]azetidine-1-carboxamide
CID 72930456
1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone
CID 80685118
2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane
CID 70569993
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone
CID 70760207
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone
CID 126433993
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone
CID 114781946
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methyloxolan-2-yl)methanone
CID 82701323

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).