[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

C22H18N2O7 — CID 46791532

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)CNC(=O)c1ccco1)oc1ccccc12
InChIInChI=1S/C22H18N2O7/c1-28-19-9-14-13-5-2-3-6-16(13)31-18(14)10-15(19)24-20(25)12-30-21(26)11-23-22(27)17-7-4-8-29-17/h2-10H,11-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyVMXPYMGNHNOMCM-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.10
Rot. Bonds7

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 46791532) has the molecular formula C22H18N2O7 and a molecular weight of 422.39 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID46791532
Molecular FormulaC22H18N2O7
Molecular Weight422.39 g/mol
Exact Mass422.11
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)CNC(=O)c1ccco1)oc1ccccc12
InChIInChI=1S/C22H18N2O7/c1-28-19-9-14-13-5-2-3-6-16(13)31-18(14)10-15(19)24-20(25)12-30-21(26)11-23-22(27)17-7-4-8-29-17/h2-10H,11-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyVMXPYMGNHNOMCM-UHFFFAOYSA-N
XLogP3.10
TPSA120.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate 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

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328
methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
CID 7695279
furan-2-ylmethyl-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylazanium
CID 9334151
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880275
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916632
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833842
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774259

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 46791532) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is COc1cc2c(cc1NC(=O)COC(=O)CNC(=O)c1ccco1)oc1ccccc12.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is VMXPYMGNHNOMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O7/c1-28-19-9-14-13-5-2-3-6-16(13)31-18(14)10-15(19)24-20(25)12-30-21(26)11-23-22(27)17-7-4-8-29-17/h2-10H,11-12H2,1H3,(H,23,27)(H,24,25).
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 422.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 46791532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).