diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate

C24H31NO7 — CID 108762186

IUPACdiethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1C(=O)OCC
InChIInChI=1S/C24H31NO7/c1-8-29-22(27)19-15(4)32-21(20(19)23(28)30-9-2)25-18(26)13-31-17-11-10-14(3)12-16(17)24(5,6)7/h10-12H,8-9,13H2,1-7H3,(H,25,26)
InChIKeyDYPIPBIKONKBRU-UHFFFAOYSA-N
MW445.51 g/mol
LogP4.56
Rot. Bonds8

About diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate

diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate (PubChem CID 108762186) has the molecular formula C24H31NO7 and a molecular weight of 445.51 g/mol. Its IUPAC name is diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate
PubChem CID108762186
Molecular FormulaC24H31NO7
Molecular Weight445.51 g/mol
Exact Mass445.21
IUPAC Namediethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1C(=O)OCC
InChIInChI=1S/C24H31NO7/c1-8-29-22(27)19-15(4)32-21(20(19)23(28)30-9-2)25-18(26)13-31-17-11-10-14(3)12-16(17)24(5,6)7/h10-12H,8-9,13H2,1-7H3,(H,25,26)
InChIKeyDYPIPBIKONKBRU-UHFFFAOYSA-N
XLogP4.56
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate with MolForge

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Related Compounds

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 108763001
ethyl 4-acetyl-5-methyl-2-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]furan-3-carboxylate
CID 108741025
ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9229093
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
diethyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-5-methylfuran-3,4-dicarboxylate
CID 108762202
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
diethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762099
diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
CID 108739398
2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196681
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 7601452
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate?
The IUPAC name of diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate (CID 108762186) is diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate is CCOC(=O)c1c(C)oc(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1C(=O)OCC.
What is the InChIKey of diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate?
The InChIKey is DYPIPBIKONKBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO7/c1-8-29-22(27)19-15(4)32-21(20(19)23(28)30-9-2)25-18(26)13-31-17-11-10-14(3)12-16(17)24(5,6)7/h10-12H,8-9,13H2,1-7H3,(H,25,26).
What are the key properties of diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate?
diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate has a molecular weight of 445.51 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate is sourced from PubChem (CID 108762186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).