phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

C23H25NO7 — CID 18281736

IUPACphenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H25NO7/c1-2-29-21-14-18(23(27)31-15-19(25)17-6-4-3-5-7-17)8-9-20(21)30-16-22(26)24-10-12-28-13-11-24/h3-9,14H,2,10-13,15-16H2,1H3
InChIKeyRVZVQZOEFNUHAI-UHFFFAOYSA-N
MW427.45 g/mol
LogP2.36
Rot. Bonds9

About phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (PubChem CID 18281736) has the molecular formula C23H25NO7 and a molecular weight of 427.45 g/mol. Its IUPAC name is phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.

Molecular Properties

Compound Namephenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
PubChem CID18281736
Molecular FormulaC23H25NO7
Molecular Weight427.45 g/mol
Exact Mass427.16
IUPAC Namephenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H25NO7/c1-2-29-21-14-18(23(27)31-15-19(25)17-6-4-3-5-7-17)8-9-20(21)30-16-22(26)24-10-12-28-13-11-24/h3-9,14H,2,10-13,15-16H2,1H3
InChIKeyRVZVQZOEFNUHAI-UHFFFAOYSA-N
XLogP2.36
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
cyanomethyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7969980
(2,3-dimethoxyphenyl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 24980785
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 4656058
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 4856725
2-[4-(2,3-dihydroindole-1-carbonyl)-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 8012463
[(3R)-2-oxooxolan-3-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7485301
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 42981055
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 30786174

Frequently Asked Questions

What is the IUPAC name of phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The IUPAC name of phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (CID 18281736) is phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.
What is the SMILES notation for phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The canonical SMILES for phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is CCOc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The InChIKey is RVZVQZOEFNUHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO7/c1-2-29-21-14-18(23(27)31-15-19(25)17-6-4-3-5-7-17)8-9-20(21)30-16-22(26)24-10-12-28-13-11-24/h3-9,14H,2,10-13,15-16H2,1H3.
What are the key properties of phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate has a molecular weight of 427.45 g/mol, XLogP of 2.36, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is sourced from PubChem (CID 18281736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).