[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

C23H22N2O6 — CID 55318274

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H22N2O6/c1-14-6-9-19(29-3)18(11-14)24-21(26)13-31-23(28)16-8-7-15(2)17(12-16)25-22(27)20-5-4-10-30-20/h4-12H,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBEZMJQJHFAAUSD-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.95
Rot. Bonds7

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 55318274) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID55318274
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H22N2O6/c1-14-6-9-19(29-3)18(11-14)24-21(26)13-31-23(28)16-8-7-15(2)17(12-16)25-22(27)20-5-4-10-30-20/h4-12H,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBEZMJQJHFAAUSD-UHFFFAOYSA-N
XLogP3.95
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4858769
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2357454
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7544411
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
(2-oxo-2-propan-2-yloxyethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 24557608
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41309194
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
[2-(4-bromophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4801787
[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880275

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 55318274) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is BEZMJQJHFAAUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-14-6-9-19(29-3)18(11-14)24-21(26)13-31-23(28)16-8-7-15(2)17(12-16)25-22(27)20-5-4-10-30-20/h4-12H,13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 422.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 55318274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).