[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate

C24H21NO6 — CID 7811454

IUPAC[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1OC)oc1ccccc12
InChIInChI=1S/C24H21NO6/c1-14(30-24(27)16-9-5-6-10-19(16)28-2)23(26)25-18-13-21-17(12-22(18)29-3)15-8-4-7-11-20(15)31-21/h4-14H,1-3H3,(H,25,26)/t14-/m1/s1
InChIKeyBLGCXYFDRPMYTN-CQSZACIVSA-N
MW419.43 g/mol
LogP4.79
Rot. Bonds6

About [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate

[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate (PubChem CID 7811454) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
PubChem CID7811454
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1OC)oc1ccccc12
InChIInChI=1S/C24H21NO6/c1-14(30-24(27)16-9-5-6-10-19(16)28-2)23(26)25-18-13-21-17(12-22(18)29-3)15-8-4-7-11-20(15)31-21/h4-14H,1-3H3,(H,25,26)/t14-/m1/s1
InChIKeyBLGCXYFDRPMYTN-CQSZACIVSA-N
XLogP4.79
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate with MolForge

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Related Compounds

[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
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 7890835
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 41152870
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
[(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
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2098410
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 3996422
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-(2-methylphenyl)acetate
CID 7489192

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate?
The IUPAC name of [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate (CID 7811454) is [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate.
What is the SMILES notation for [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate?
The canonical SMILES for [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate is COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1OC)oc1ccccc12.
What is the InChIKey of [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate?
The InChIKey is BLGCXYFDRPMYTN-CQSZACIVSA-N. The full InChI is InChI=1S/C24H21NO6/c1-14(30-24(27)16-9-5-6-10-19(16)28-2)23(26)25-18-13-21-17(12-22(18)29-3)15-8-4-7-11-20(15)31-21/h4-14H,1-3H3,(H,25,26)/t14-/m1/s1.
What are the key properties of [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate?
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate has a molecular weight of 419.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate is sourced from PubChem (CID 7811454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).