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

C26H30N2O6 — CID 55312521

IUPAC[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C(C)OC(=O)c1oc2ccccc2c1COC(C)C
InChIInChI=1S/C26H30N2O6/c1-15(2)32-14-20-19-11-6-7-12-21(19)34-24(20)26(31)33-18(5)25(30)27-13-22(29)28-23-16(3)9-8-10-17(23)4/h6-12,15,18H,13-14H2,1-5H3,(H,27,30)(H,28,29)
InChIKeyGVTSYIIWWJKCNR-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.27
Rot. Bonds9

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

[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 55312521) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
PubChem CID55312521
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C(C)OC(=O)c1oc2ccccc2c1COC(C)C
InChIInChI=1S/C26H30N2O6/c1-15(2)32-14-20-19-11-6-7-12-21(19)34-24(20)26(31)33-18(5)25(30)27-13-22(29)28-23-16(3)9-8-10-17(23)4/h6-12,15,18H,13-14H2,1-5H3,(H,27,30)(H,28,29)
InChIKeyGVTSYIIWWJKCNR-UHFFFAOYSA-N
XLogP4.27
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
CID 55502690
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 8600681
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8955163
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
[1-(benzylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18078133
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
CID 55479081
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18091742
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 29407800
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7903996
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551286
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960975
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18091738

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate (CID 55312521) is [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate is Cc1cccc(C)c1NC(=O)CNC(=O)C(C)OC(=O)c1oc2ccccc2c1COC(C)C.
What is the InChIKey of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is GVTSYIIWWJKCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-15(2)32-14-20-19-11-6-7-12-21(19)34-24(20)26(31)33-18(5)25(30)27-13-22(29)28-23-16(3)9-8-10-17(23)4/h6-12,15,18H,13-14H2,1-5H3,(H,27,30)(H,28,29).
What are the key properties of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate?
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 466.53 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 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-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 55312521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).