[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

C25H26N2O7 — CID 2627097

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H26N2O7/c1-5-16-9-6-8-15(2)23(16)27-22(28)14-34-25(30)17-12-20(31-3)21(32-4)13-18(17)26-24(29)19-10-7-11-33-19/h6-13H,5,14H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyIZZFWKYXVIOACO-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.22
Rot. Bonds9

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (PubChem CID 2627097) has the molecular formula C25H26N2O7 and a molecular weight of 466.49 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
PubChem CID2627097
Molecular FormulaC25H26N2O7
Molecular Weight466.49 g/mol
Exact Mass466.17
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H26N2O7/c1-5-16-9-6-8-15(2)23(16)27-22(28)14-34-25(30)17-12-20(31-3)21(32-4)13-18(17)26-24(29)19-10-7-11-33-19/h6-13H,5,14H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyIZZFWKYXVIOACO-UHFFFAOYSA-N
XLogP4.22
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3998206
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7570965
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2496774
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2357066
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534370
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534409
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3320064
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (CID 2627097) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is CCc1cccc(C)c1NC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is IZZFWKYXVIOACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O7/c1-5-16-9-6-8-15(2)23(16)27-22(28)14-34-25(30)17-12-20(31-3)21(32-4)13-18(17)26-24(29)19-10-7-11-33-19/h6-13H,5,14H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 466.49 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 2627097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).