methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate

C16H21NO6 — CID 47069672

IUPACmethyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1cc(OC)ccc1OCC(=O)N1CCOC(C)C1
InChIInChI=1S/C16H21NO6/c1-11-9-17(6-7-22-11)15(18)10-23-14-5-4-12(20-2)8-13(14)16(19)21-3/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyPOAGQWWEWLNHGR-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.11
Rot. Bonds5

About methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate

methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate (PubChem CID 47069672) has the molecular formula C16H21NO6 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate
PubChem CID47069672
Molecular FormulaC16H21NO6
Molecular Weight323.35 g/mol
Exact Mass323.14
IUPAC Namemethyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1cc(OC)ccc1OCC(=O)N1CCOC(C)C1
InChIInChI=1S/C16H21NO6/c1-11-9-17(6-7-22-11)15(18)10-23-14-5-4-12(20-2)8-13(14)16(19)21-3/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyPOAGQWWEWLNHGR-UHFFFAOYSA-N
XLogP1.11
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55479089
2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 82808741
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647327
methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate
CID 2445011
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278
2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 107014045
3,5-dimethoxy-N-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 41247421
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 56809620

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate (CID 47069672) is methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate is COC(=O)c1cc(OC)ccc1OCC(=O)N1CCOC(C)C1.
What is the InChIKey of methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate?
The InChIKey is POAGQWWEWLNHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c1-11-9-17(6-7-22-11)15(18)10-23-14-5-4-12(20-2)8-13(14)16(19)21-3/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate?
methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate has a molecular weight of 323.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate is sourced from PubChem (CID 47069672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).