[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate

C23H19NO6 — CID 8513564

IUPAC[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C23H19NO6/c1-27-16-9-14(10-17(12-16)28-2)23(26)29-13-22(25)24-15-7-8-21-19(11-15)18-5-3-4-6-20(18)30-21/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyJAWZBPKNIVVTHC-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.40
Rot. Bonds6

About [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate

[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate (PubChem CID 8513564) has the molecular formula C23H19NO6 and a molecular weight of 405.41 g/mol. Its IUPAC name is [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
PubChem CID8513564
Molecular FormulaC23H19NO6
Molecular Weight405.41 g/mol
Exact Mass405.12
IUPAC Name[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C23H19NO6/c1-27-16-9-14(10-17(12-16)28-2)23(26)29-13-22(25)24-15-7-8-21-19(11-15)18-5-3-4-6-20(18)30-21/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyJAWZBPKNIVVTHC-UHFFFAOYSA-N
XLogP4.40
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727333
[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 8509963
2-(4-acetylphenoxy)-N-dibenzofuran-2-ylacetamide
CID 2635783
dibenzofuran-2-yl 3,5-dimethoxybenzoate
CID 4314506
[2-(3-bromoanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516602
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518258
[2-(4-tert-butylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8528824
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727286
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653280
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate
CID 24661375
N-dibenzofuran-2-yl-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8557300
[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 8521511

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate?
The IUPAC name of [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate (CID 8513564) is [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate?
The canonical SMILES for [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate?
The InChIKey is JAWZBPKNIVVTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO6/c1-27-16-9-14(10-17(12-16)28-2)23(26)29-13-22(25)24-15-7-8-21-19(11-15)18-5-3-4-6-20(18)30-21/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate?
[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate has a molecular weight of 405.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 8513564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).