[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate

C24H27NO6 — CID 46608071

IUPAC[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
SMILESCOc1ccc(OC)c(C(C)NC(=O)COC(=O)Cc2coc3cc(C)c(C)cc23)c1
InChIInChI=1S/C24H27NO6/c1-14-8-20-17(12-30-22(20)9-15(14)2)10-24(27)31-13-23(26)25-16(3)19-11-18(28-4)6-7-21(19)29-5/h6-9,11-12,16H,10,13H2,1-5H3,(H,25,26)
InChIKeyLIGUOAFPQDYGAA-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.03
Rot. Bonds8

About [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate

[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate (PubChem CID 46608071) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
PubChem CID46608071
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
SMILESCOc1ccc(OC)c(C(C)NC(=O)COC(=O)Cc2coc3cc(C)c(C)cc23)c1
InChIInChI=1S/C24H27NO6/c1-14-8-20-17(12-30-22(20)9-15(14)2)10-24(27)31-13-23(26)25-16(3)19-11-18(28-4)6-7-21(19)29-5/h6-9,11-12,16H,10,13H2,1-5H3,(H,25,26)
InChIKeyLIGUOAFPQDYGAA-UHFFFAOYSA-N
XLogP4.03
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7252037
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 46607306
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251987
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 9477513
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 55398491
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 42899513
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807923
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7252001
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251818
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 2-methylbenzoate
CID 9202550

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate (CID 46608071) is [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate is COc1ccc(OC)c(C(C)NC(=O)COC(=O)Cc2coc3cc(C)c(C)cc23)c1.
What is the InChIKey of [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The InChIKey is LIGUOAFPQDYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-14-8-20-17(12-30-22(20)9-15(14)2)10-24(27)31-13-23(26)25-16(3)19-11-18(28-4)6-7-21(19)29-5/h6-9,11-12,16H,10,13H2,1-5H3,(H,25,26).
What are the key properties of [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate has a molecular weight of 425.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 46608071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).