[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate

C24H21NO6 — CID 7821695

IUPAC[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)OC(=O)[C@@H](O)c1ccccc1)oc1ccccc12
InChIInChI=1S/C24H21NO6/c1-14(30-24(28)22(26)15-8-4-3-5-9-15)23(27)25-18-13-20-17(12-21(18)29-2)16-10-6-7-11-19(16)31-20/h3-14,22,26H,1-2H3,(H,25,27)/t14-,22-/m0/s1
InChIKeyOQYITJCVNQJBOB-FPTDNZKUSA-N
MW419.43 g/mol
LogP4.20
Rot. Bonds6

About [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate

[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 7821695) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID7821695
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)OC(=O)[C@@H](O)c1ccccc1)oc1ccccc12
InChIInChI=1S/C24H21NO6/c1-14(30-24(28)22(26)15-8-4-3-5-9-15)23(27)25-18-13-20-17(12-21(18)29-2)16-10-6-7-11-19(16)31-20/h3-14,22,26H,1-2H3,(H,25,27)/t14-,22-/m0/s1
InChIKeyOQYITJCVNQJBOB-FPTDNZKUSA-N
XLogP4.20
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate with MolForge

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Related Compounds

[(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] 2-(2-methylphenyl)acetate
CID 7489192
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
CID 5004378
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 7890835
[(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
[(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
(2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7613372
2-(2,3-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 18291295

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate (CID 7821695) is [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate is COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)[C@@H](O)c1ccccc1)oc1ccccc12.
What is the InChIKey of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is OQYITJCVNQJBOB-FPTDNZKUSA-N. The full InChI is InChI=1S/C24H21NO6/c1-14(30-24(28)22(26)15-8-4-3-5-9-15)23(27)25-18-13-20-17(12-21(18)29-2)16-10-6-7-11-19(16)31-20/h3-14,22,26H,1-2H3,(H,25,27)/t14-,22-/m0/s1.
What are the key properties of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate?
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 419.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7821695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).