[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate

C24H24N2O5 — CID 55479081

IUPAC[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C(C)OC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C24H24N2O5/c1-15-8-7-9-16(2)21(15)26-20(27)14-25-23(28)17(3)31-24(29)22-19(12-13-30-22)18-10-5-4-6-11-18/h4-13,17H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyWOPTVBSMSTURAY-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.86
Rot. Bonds7

About [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate

[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate (PubChem CID 55479081) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
PubChem CID55479081
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C(C)OC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C24H24N2O5/c1-15-8-7-9-16(2)21(15)26-20(27)14-25-23(28)17(3)31-24(29)22-19(12-13-30-22)18-10-5-4-6-11-18/h4-13,17H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyWOPTVBSMSTURAY-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate with MolForge

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Related Compounds

[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
CID 24520576
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
CID 24520578
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 46794980
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 29407800
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide
CID 51140359
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
CID 55312521
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 46789987
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 55563158
[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
CID 24520584
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30906056
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(methylsulfonylmethyl)benzoate
CID 55393607
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384720

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The IUPAC name of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate (CID 55479081) is [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate.
What is the SMILES notation for [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The canonical SMILES for [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate is Cc1cccc(C)c1NC(=O)CNC(=O)C(C)OC(=O)c1occc1-c1ccccc1.
What is the InChIKey of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The InChIKey is WOPTVBSMSTURAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-15-8-7-9-16(2)21(15)26-20(27)14-25-23(28)17(3)31-24(29)22-19(12-13-30-22)18-10-5-4-6-11-18/h4-13,17H,14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate is sourced from PubChem (CID 55479081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).