2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one

C16H24N2O3 — CID 166324342

IUPAC2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
SMILESCOCC(C(=O)N1CC(OCc2ccccc2)C1)N(C)C
InChIInChI=1S/C16H24N2O3/c1-17(2)15(12-20-3)16(19)18-9-14(10-18)21-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChIKeyADEFCZWZZUHHCB-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.99
Rot. Bonds7

About 2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one

2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one (PubChem CID 166324342) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
PubChem CID166324342
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
SMILESCOCC(C(=O)N1CC(OCc2ccccc2)C1)N(C)C
InChIInChI=1S/C16H24N2O3/c1-17(2)15(12-20-3)16(19)18-9-14(10-18)21-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChIKeyADEFCZWZZUHHCB-UHFFFAOYSA-N
XLogP0.99
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one
CID 53034675
[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone
CID 118786113
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26220986
3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 166278051
(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid
CID 166278055
3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
CID 97200599
2-amino-3-methoxy-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120990016
1-methyl-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 20692683
N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
CID 86642923

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one?
The IUPAC name of 2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one (CID 166324342) is 2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one is COCC(C(=O)N1CC(OCc2ccccc2)C1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one?
The InChIKey is ADEFCZWZZUHHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(2)15(12-20-3)16(19)18-9-14(10-18)21-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3.
What are the key properties of 2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one?
2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 166324342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).