[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

C24H26N2O5 — CID 24518726

IUPAC[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCC(=O)Nc3ccc(CN4CCOCC4)cc3)coc2c1
InChIInChI=1S/C24H26N2O5/c1-17-2-7-21-19(15-30-22(21)12-17)13-24(28)31-16-23(27)25-20-5-3-18(4-6-20)14-26-8-10-29-11-9-26/h2-7,12,15H,8-11,13-14,16H2,1H3,(H,25,27)
InChIKeyOGFXBQHQMYQQCG-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.30
Rot. Bonds7

About [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate (PubChem CID 24518726) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
PubChem CID24518726
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCC(=O)Nc3ccc(CN4CCOCC4)cc3)coc2c1
InChIInChI=1S/C24H26N2O5/c1-17-2-7-21-19(15-30-22(21)12-17)13-24(28)31-16-23(27)25-20-5-3-18(4-6-20)14-26-8-10-29-11-9-26/h2-7,12,15H,8-11,13-14,16H2,1H3,(H,25,27)
InChIKeyOGFXBQHQMYQQCG-UHFFFAOYSA-N
XLogP3.30
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872216
2-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]acetamide
CID 31856404
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525108
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807175
[2-(4-fluoroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415410
methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7807198
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872035
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541

Frequently Asked Questions

What is the IUPAC name of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate (CID 24518726) is [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate is Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc(CN4CCOCC4)cc3)coc2c1.
What is the InChIKey of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The InChIKey is OGFXBQHQMYQQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-17-2-7-21-19(15-30-22(21)12-17)13-24(28)31-16-23(27)25-20-5-3-18(4-6-20)14-26-8-10-29-11-9-26/h2-7,12,15H,8-11,13-14,16H2,1H3,(H,25,27).
What are the key properties of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate has a molecular weight of 422.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 24518726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).