[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate

C24H19NO7 — CID 3996422

IUPAC[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
SMILESCOc1cc2c(cc1NC(=O)C(C)OC(=O)c1ccc3c(c1)OCO3)oc1ccccc12
InChIInChI=1S/C24H19NO7/c1-13(31-24(27)14-7-8-19-22(9-14)30-12-29-19)23(26)25-17-11-20-16(10-21(17)28-2)15-5-3-4-6-18(15)32-20/h3-11,13H,12H2,1-2H3,(H,25,26)
InChIKeyJIPIKVYOINVFRR-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.51
Rot. Bonds5

About [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate

[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate (PubChem CID 3996422) has the molecular formula C24H19NO7 and a molecular weight of 433.42 g/mol. Its IUPAC name is [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate.

Molecular Properties

Compound Name[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
PubChem CID3996422
Molecular FormulaC24H19NO7
Molecular Weight433.42 g/mol
Exact Mass433.12
IUPAC Name[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
SMILESCOc1cc2c(cc1NC(=O)C(C)OC(=O)c1ccc3c(c1)OCO3)oc1ccccc12
InChIInChI=1S/C24H19NO7/c1-13(31-24(27)14-7-8-19-22(9-14)30-12-29-19)23(26)25-17-11-20-16(10-21(17)28-2)15-5-3-4-6-18(15)32-20/h3-11,13H,12H2,1-2H3,(H,25,26)
InChIKeyJIPIKVYOINVFRR-UHFFFAOYSA-N
XLogP4.51
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate with MolForge

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Related Compounds

[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 41152870
[(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] pyridine-4-carboxylate
CID 7783804
[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] 2-methoxybenzoate
CID 7811454
[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] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 98383221
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 16522333
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 8012509
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2579993
[(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 [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate?
The IUPAC name of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate (CID 3996422) is [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate.
What is the SMILES notation for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate?
The canonical SMILES for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate is COc1cc2c(cc1NC(=O)C(C)OC(=O)c1ccc3c(c1)OCO3)oc1ccccc12.
What is the InChIKey of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate?
The InChIKey is JIPIKVYOINVFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO7/c1-13(31-24(27)14-7-8-19-22(9-14)30-12-29-19)23(26)25-17-11-20-16(10-21(17)28-2)15-5-3-4-6-18(15)32-20/h3-11,13H,12H2,1-2H3,(H,25,26).
What are the key properties of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate?
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate has a molecular weight of 433.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate is sourced from PubChem (CID 3996422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).