[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone

C21H26N2O2 — CID 118786113

IUPAC[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone
SMILESCCN(CC)c1ccc(C(=O)N2CC(OCc3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-22(4-2)19-12-10-18(11-13-19)21(24)23-14-20(15-23)25-16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3
InChIKeyIFLPRLRXMZENPX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.57
Rot. Bonds7

About [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone

[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone (PubChem CID 118786113) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone
PubChem CID118786113
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone
SMILESCCN(CC)c1ccc(C(=O)N2CC(OCc3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-22(4-2)19-12-10-18(11-13-19)21(24)23-14-20(15-23)25-16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3
InChIKeyIFLPRLRXMZENPX-UHFFFAOYSA-N
XLogP3.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone
CID 53034640
(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone
CID 53008478
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
CID 9153899
phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone
CID 75367813
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
CID 24957914
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
CID 166324342
[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638827

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone?
The IUPAC name of [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone (CID 118786113) is [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone.
What is the SMILES notation for [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone?
The canonical SMILES for [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone is CCN(CC)c1ccc(C(=O)N2CC(OCc3ccccc3)C2)cc1.
What is the InChIKey of [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone?
The InChIKey is IFLPRLRXMZENPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-22(4-2)19-12-10-18(11-13-19)21(24)23-14-20(15-23)25-16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3.
What are the key properties of [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone?
[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone is sourced from PubChem (CID 118786113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).