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

C24H24N2O5 — CID 7756074

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
SMILESCc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3C(=O)NC3CC3)c2cc1C
InChIInChI=1S/C24H24N2O5/c1-14-9-19-16(12-30-21(19)10-15(14)2)11-23(28)31-13-22(27)26-20-6-4-3-5-18(20)24(29)25-17-7-8-17/h3-6,9-10,12,17H,7-8,11,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyLWCYTJLGPIWUAD-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.67
Rot. Bonds7

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

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate (PubChem CID 7756074) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
PubChem CID7756074
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
SMILESCc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3C(=O)NC3CC3)c2cc1C
InChIInChI=1S/C24H24N2O5/c1-14-9-19-16(12-30-21(19)10-15(14)2)11-23(28)31-13-22(27)26-20-6-4-3-5-18(20)24(29)25-17-7-8-17/h3-6,9-10,12,17H,7-8,11,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyLWCYTJLGPIWUAD-UHFFFAOYSA-N
XLogP3.67
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251943
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527057
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251815
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960361
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815364
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535606
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
trans-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8020791
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 24557188
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364162
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 55473476

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate (CID 7756074) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate is Cc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3C(=O)NC3CC3)c2cc1C.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The InChIKey is LWCYTJLGPIWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14-9-19-16(12-30-21(19)10-15(14)2)11-23(28)31-13-22(27)26-20-6-4-3-5-18(20)24(29)25-17-7-8-17/h3-6,9-10,12,17H,7-8,11,13H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate has a molecular weight of 420.47 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7756074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).