[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

C25H25NO8 — CID 42981055

IUPAC[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCOc1cc(C(=O)OCC(=O)c2oc3ccccc3c2C)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C25H25NO8/c1-16-18-5-3-4-6-20(18)34-24(16)19(27)14-33-25(29)17-7-8-21(22(13-17)30-2)32-15-23(28)26-9-11-31-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyNCZKREYMZNINBD-UHFFFAOYSA-N
MW467.47 g/mol
LogP3.03
Rot. Bonds8

About [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (PubChem CID 42981055) has the molecular formula C25H25NO8 and a molecular weight of 467.47 g/mol. Its IUPAC name is [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
PubChem CID42981055
Molecular FormulaC25H25NO8
Molecular Weight467.47 g/mol
Exact Mass467.16
IUPAC Name[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCOc1cc(C(=O)OCC(=O)c2oc3ccccc3c2C)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C25H25NO8/c1-16-18-5-3-4-6-20(18)34-24(16)19(27)14-33-25(29)17-7-8-21(22(13-17)30-2)32-15-23(28)26-9-11-31-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyNCZKREYMZNINBD-UHFFFAOYSA-N
XLogP3.03
TPSA104.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate with MolForge

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Related Compounds

phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 18281736
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569033
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 3628832
(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 25440659
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569268
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501974
(2,3-dimethoxyphenyl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 24980785
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
[(1S)-1-cyanoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7277925
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 166179660

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The IUPAC name of [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (CID 42981055) is [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The canonical SMILES for [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is COc1cc(C(=O)OCC(=O)c2oc3ccccc3c2C)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The InChIKey is NCZKREYMZNINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO8/c1-16-18-5-3-4-6-20(18)34-24(16)19(27)14-33-25(29)17-7-8-21(22(13-17)30-2)32-15-23(28)26-9-11-31-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate has a molecular weight of 467.47 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is sourced from PubChem (CID 42981055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).