[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium

C25H26N3O3+ — CID 8556455

IUPAC[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C25H25N3O3/c1-3-17-8-4-6-10-21(17)27-25(30)16-28(2)15-24(29)26-18-12-13-23-20(14-18)19-9-5-7-11-22(19)31-23/h4-14H,3,15-16H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyFUSDGFJZNRGASC-UHFFFAOYSA-O
MW416.50 g/mol
LogP3.24
Rot. Bonds7

About [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium

[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 8556455) has the molecular formula C25H26N3O3+ and a molecular weight of 416.50 g/mol. Its IUPAC name is [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
PubChem CID8556455
Molecular FormulaC25H26N3O3+
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C25H25N3O3/c1-3-17-8-4-6-10-21(17)27-25(30)16-28(2)15-24(29)26-18-12-13-23-20(14-18)19-9-5-7-11-22(19)31-23/h4-14H,3,15-16H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyFUSDGFJZNRGASC-UHFFFAOYSA-O
XLogP3.24
TPSA75.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8555634
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8789619
[2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9303858
(2R)-2-amino-N-dibenzofuran-2-ylpropanamide
CID 54996249
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9304035
[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9304175
[2-(tert-butylamino)-2-oxoethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8766963
N-dibenzofuran-2-yl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8519906
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (CID 8556455) is [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is CCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc2oc3ccccc3c2c1.
What is the InChIKey of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is FUSDGFJZNRGASC-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H25N3O3/c1-3-17-8-4-6-10-21(17)27-25(30)16-28(2)15-24(29)26-18-12-13-23-20(14-18)19-9-5-7-11-22(19)31-23/h4-14H,3,15-16H2,1-2H3,(H,26,29)(H,27,30)/p+1.
What are the key properties of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 416.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8556455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).