N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide

C14H20BrN3O2 — CID 78960546

IUPACN-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
SMILESCN1CCOC(CNCC(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrN3O2/c1-18-6-7-20-13(10-18)8-16-9-14(19)17-12-4-2-11(15)3-5-12/h2-5,13,16H,6-10H2,1H3,(H,17,19)
InChIKeyYHYZUWMUYDCVLJ-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.31
Rot. Bonds5

About N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide

N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide (PubChem CID 78960546) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
PubChem CID78960546
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC NameN-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
SMILESCN1CCOC(CNCC(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrN3O2/c1-18-6-7-20-13(10-18)8-16-9-14(19)17-12-4-2-11(15)3-5-12/h2-5,13,16H,6-10H2,1H3,(H,17,19)
InChIKeyYHYZUWMUYDCVLJ-UHFFFAOYSA-N
XLogP1.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960893
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol
CID 95751208
2-[(4-ethylmorpholin-2-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 115626310
N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833
N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78945317
2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 78945150
2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295
N-(4-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859696
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95336812
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(4-bromophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide
CID 61058649

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide (CID 78960546) is N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide is CN1CCOC(CNCC(=O)Nc2ccc(Br)cc2)C1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
The InChIKey is YHYZUWMUYDCVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-18-6-7-20-13(10-18)8-16-9-14(19)17-12-4-2-11(15)3-5-12/h2-5,13,16H,6-10H2,1H3,(H,17,19).
What are the key properties of N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide has a molecular weight of 342.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide is sourced from PubChem (CID 78960546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).