[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate

C28H28N2O6 — CID 5004378

IUPAC[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
SMILESCOc1cc2c(cc1NC(=O)C(C)OC(=O)C(NC(=O)c1ccccc1)C(C)C)oc1ccccc12
InChIInChI=1S/C28H28N2O6/c1-16(2)25(30-27(32)18-10-6-5-7-11-18)28(33)35-17(3)26(31)29-21-15-23-20(14-24(21)34-4)19-12-8-9-13-22(19)36-23/h5-17,25H,1-4H3,(H,29,31)(H,30,32)
InChIKeyGCCFJGKQAHIFCI-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.92
Rot. Bonds8

About [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate

[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate (PubChem CID 5004378) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate.

Molecular Properties

Compound Name[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
PubChem CID5004378
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC Name[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
SMILESCOc1cc2c(cc1NC(=O)C(C)OC(=O)C(NC(=O)c1ccccc1)C(C)C)oc1ccccc12
InChIInChI=1S/C28H28N2O6/c1-16(2)25(30-27(32)18-10-6-5-7-11-18)28(33)35-17(3)26(31)29-21-15-23-20(14-24(21)34-4)19-12-8-9-13-22(19)36-23/h5-17,25H,1-4H3,(H,29,31)(H,30,32)
InChIKeyGCCFJGKQAHIFCI-UHFFFAOYSA-N
XLogP4.92
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate 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

3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3257798
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
CID 40799365
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 7890835
(2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7613372
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783804
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 4802218
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 41152870

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate?
The IUPAC name of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate (CID 5004378) is [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate.
What is the SMILES notation for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate?
The canonical SMILES for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate is COc1cc2c(cc1NC(=O)C(C)OC(=O)C(NC(=O)c1ccccc1)C(C)C)oc1ccccc12.
What is the InChIKey of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate?
The InChIKey is GCCFJGKQAHIFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-16(2)25(30-27(32)18-10-6-5-7-11-18)28(33)35-17(3)26(31)29-21-15-23-20(14-24(21)34-4)19-12-8-9-13-22(19)36-23/h5-17,25H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate?
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate has a molecular weight of 488.54 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate is sourced from PubChem (CID 5004378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).