4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid

C18H27NO6 — CID 90781892

IUPAC4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid
SMILESCCOC(CC(C(=O)O)N1CCOCC1)c1c(OC)cccc1OC
InChIInChI=1S/C18H27NO6/c1-4-25-16(17-14(22-2)6-5-7-15(17)23-3)12-13(18(20)21)19-8-10-24-11-9-19/h5-7,13,16H,4,8-12H2,1-3H3,(H,20,21)
InChIKeyGUYJDWIYYPQSCB-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.96
Rot. Bonds9

About 4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid

4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid (PubChem CID 90781892) has the molecular formula C18H27NO6 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid
PubChem CID90781892
Molecular FormulaC18H27NO6
Molecular Weight353.42 g/mol
Exact Mass353.18
IUPAC Name4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid
SMILESCCOC(CC(C(=O)O)N1CCOCC1)c1c(OC)cccc1OC
InChIInChI=1S/C18H27NO6/c1-4-25-16(17-14(22-2)6-5-7-15(17)23-3)12-13(18(20)21)19-8-10-24-11-9-19/h5-7,13,16H,4,8-12H2,1-3H3,(H,20,21)
InChIKeyGUYJDWIYYPQSCB-UHFFFAOYSA-N
XLogP1.96
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100553628
(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100552037
(2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate
CID 101146486
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine
CID 39844404
(2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate
CID 90744198
4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine
CID 10085673
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 82091723
(2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
CID 29126918
4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 2955982
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
N-(4-amino-2-methoxyphenyl)-2-morpholin-4-ylbutanamide
CID 82224744

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid (CID 90781892) is 4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid is CCOC(CC(C(=O)O)N1CCOCC1)c1c(OC)cccc1OC.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid?
The InChIKey is GUYJDWIYYPQSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO6/c1-4-25-16(17-14(22-2)6-5-7-15(17)23-3)12-13(18(20)21)19-8-10-24-11-9-19/h5-7,13,16H,4,8-12H2,1-3H3,(H,20,21).
What are the key properties of 4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid?
4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid has a molecular weight of 353.42 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 90781892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).