(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate

C22H21NO6 — CID 7734391

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate
SMILESCOc1cc(C)c(COC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC
InChIInChI=1S/C22H21NO6/c1-14-11-19(26-2)20(27-3)12-16(14)13-29-22(25)15-6-8-17(9-7-15)23-21(24)18-5-4-10-28-18/h4-12H,13H2,1-3H3,(H,23,24)
InChIKeyAEZMWMAKQUAARV-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.21
Rot. Bonds7

About (4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate

(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate (PubChem CID 7734391) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate
PubChem CID7734391
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate
SMILESCOc1cc(C)c(COC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC
InChIInChI=1S/C22H21NO6/c1-14-11-19(26-2)20(27-3)12-16(14)13-29-22(25)15-6-8-17(9-7-15)23-21(24)18-5-4-10-28-18/h4-12H,13H2,1-3H3,(H,23,24)
InChIKeyAEZMWMAKQUAARV-UHFFFAOYSA-N
XLogP4.21
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 51205552
methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate
CID 7734308
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909155
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate
CID 46672288
2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
CID 17296731
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
(3,4-dimethylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 761866
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate
CID 8909683
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate (CID 7734391) is (4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate is COc1cc(C)c(COC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate?
The InChIKey is AEZMWMAKQUAARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-14-11-19(26-2)20(27-3)12-16(14)13-29-22(25)15-6-8-17(9-7-15)23-21(24)18-5-4-10-28-18/h4-12H,13H2,1-3H3,(H,23,24).
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate?
(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate has a molecular weight of 395.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 7734391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).