N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide

C15H21BrN2O3 — CID 102610852

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)COC1(C)CNC1
InChIInChI=1S/C15H21BrN2O3/c1-15(9-17-10-15)21-8-14(19)18(2)7-11-6-12(16)4-5-13(11)20-3/h4-6,17H,7-10H2,1-3H3
InChIKeyWIPWFWFLZAGCOZ-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.79
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102610852) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102610852
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)COC1(C)CNC1
InChIInChI=1S/C15H21BrN2O3/c1-15(9-17-10-15)21-8-14(19)18(2)7-11-6-12(16)4-5-13(11)20-3/h4-6,17H,7-10H2,1-3H3
InChIKeyWIPWFWFLZAGCOZ-UHFFFAOYSA-N
XLogP1.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119682810
6-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60954211
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655891
N-(2-methoxyphenyl)-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611367
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102610852) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide is COc1ccc(Br)cc1CN(C)C(=O)COC1(C)CNC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is WIPWFWFLZAGCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-15(9-17-10-15)21-8-14(19)18(2)7-11-6-12(16)4-5-13(11)20-3/h4-6,17H,7-10H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 357.25 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102610852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).