2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone

C15H22N2O4 — CID 60976756

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
SMILESCOc1ccc(CNCC(=O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-19-13-4-3-12(14(9-13)20-2)10-16-11-15(18)17-5-7-21-8-6-17/h3-4,9,16H,5-8,10-11H2,1-2H3
InChIKeyXUJUVHZPQSTDCJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.65
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone

2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone (PubChem CID 60976756) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
PubChem CID60976756
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
SMILESCOc1ccc(CNCC(=O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-19-13-4-3-12(14(9-13)20-2)10-16-11-15(18)17-5-7-21-8-6-17/h3-4,9,16H,5-8,10-11H2,1-2H3
InChIKeyXUJUVHZPQSTDCJ-UHFFFAOYSA-N
XLogP0.65
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115603112
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
CID 60977202
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol
CID 170597186
2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957321
2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
CID 43214431
2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone
CID 108994199
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 6492077
N-[(2,4-dimethoxyphenyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728140

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone (CID 60976756) is 2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone is COc1ccc(CNCC(=O)N2CCOCC2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone?
The InChIKey is XUJUVHZPQSTDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-13-4-3-12(14(9-13)20-2)10-16-11-15(18)17-5-7-21-8-6-17/h3-4,9,16H,5-8,10-11H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone?
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone has a molecular weight of 294.35 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 60976756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).