phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone

C19H21NO2 — CID 59577311

IUPACphenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone
SMILESCC(C)c1ccccc1OC1CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-14(2)17-10-6-7-11-18(17)22-16-12-20(13-16)19(21)15-8-4-3-5-9-15/h3-11,14,16H,12-13H2,1-2H3
InChIKeyPORAOPLGVLQKBE-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.71
Rot. Bonds4

About phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone

phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone (PubChem CID 59577311) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone
PubChem CID59577311
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namephenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone
SMILESCC(C)c1ccccc1OC1CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-14(2)17-10-6-7-11-18(17)22-16-12-20(13-16)19(21)15-8-4-3-5-9-15/h3-11,14,16H,12-13H2,1-2H3
InChIKeyPORAOPLGVLQKBE-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-tert-butylphenoxy)azetidine-1-carbonyl]benzoic acid
CID 59577192
1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 18112391
[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 70788889
[3-(2-tert-butylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone
CID 126490501
3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid
CID 84755647
[3-(2-methylphenoxy)azetidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 56756894
[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 70774161
2-[2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 115005219
1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one
CID 176700662
(4-methylsulfonylphenyl)-(3-phenoxyazetidin-1-yl)methanone
CID 136523106
[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70710333
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone?
The IUPAC name of phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone (CID 59577311) is phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone?
The canonical SMILES for phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone is CC(C)c1ccccc1OC1CN(C(=O)c2ccccc2)C1.
What is the InChIKey of phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone?
The InChIKey is PORAOPLGVLQKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(2)17-10-6-7-11-18(17)22-16-12-20(13-16)19(21)15-8-4-3-5-9-15/h3-11,14,16H,12-13H2,1-2H3.
What are the key properties of phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone?
phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone has a molecular weight of 295.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 59577311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).