[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate

C23H24N2O5 — CID 8846121

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)Cc2coc3cc(CC)ccc23)c1
InChIInChI=1S/C23H24N2O5/c1-3-15-8-9-19-17(13-29-20(19)10-15)12-22(27)30-14-21(26)25-18-7-5-6-16(11-18)23(28)24-4-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyCWYYEEKAMUCQIC-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.47
Rot. Bonds8

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 8846121) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
PubChem CID8846121
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)Cc2coc3cc(CC)ccc23)c1
InChIInChI=1S/C23H24N2O5/c1-3-15-8-9-19-17(13-29-20(19)10-15)12-22(27)30-14-21(26)25-18-7-5-6-16(11-18)23(28)24-4-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyCWYYEEKAMUCQIC-UHFFFAOYSA-N
XLogP3.47
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525426
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847291
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525548
[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525492
methyl 3-[[2-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 8525388
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 18167476
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846113
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525382
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-bromobenzoate
CID 9017331

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate (CID 8846121) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate is CCNC(=O)c1cccc(NC(=O)COC(=O)Cc2coc3cc(CC)ccc23)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is CWYYEEKAMUCQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-3-15-8-9-19-17(13-29-20(19)10-15)12-22(27)30-14-21(26)25-18-7-5-6-16(11-18)23(28)24-4-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 408.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8846121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).