azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone

C13H17NO2 — CID 116583790

IUPACazetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2CNC2)c1
InChIInChI=1S/C13H17NO2/c1-9(2)16-12-5-3-4-10(6-12)13(15)11-7-14-8-11/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyXJKXGBXBSGFONV-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.88
Rot. Bonds4

About azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone

azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone (PubChem CID 116583790) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
PubChem CID116583790
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameazetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2CNC2)c1
InChIInChI=1S/C13H17NO2/c1-9(2)16-12-5-3-4-10(6-12)13(15)11-7-14-8-11/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyXJKXGBXBSGFONV-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116579945
(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 26406225
N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 45250289
N-methyl-N-piperidin-3-yl-3-propan-2-yloxybenzamide
CID 62920144
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 62920848
(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982068
3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116594401
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone (CID 116583790) is azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)C2CNC2)c1.
What is the InChIKey of azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is XJKXGBXBSGFONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)16-12-5-3-4-10(6-12)13(15)11-7-14-8-11/h3-6,9,11,14H,7-8H2,1-2H3.
What are the key properties of azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone?
azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 219.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 116583790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).