[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C19H28N3O6+ — CID 8907135

IUPAC[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)CC(=O)NC(C)C
InChIInChI=1S/C19H27N3O6/c1-6-22(10-16(23)20-12(2)3)11-17(24)21-15-9-13(18(25)27-4)7-8-14(15)19(26)28-5/h7-9,12H,6,10-11H2,1-5H3,(H,20,23)(H,21,24)/p+1
InChIKeySEUVICILIPZKJT-UHFFFAOYSA-O
MW394.45 g/mol
LogP-0.37
Rot. Bonds9

About [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8907135) has the molecular formula C19H28N3O6+ and a molecular weight of 394.45 g/mol. Its IUPAC name is [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8907135
Molecular FormulaC19H28N3O6+
Molecular Weight394.45 g/mol
Exact Mass394.20
IUPAC Name[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)CC(=O)NC(C)C
InChIInChI=1S/C19H27N3O6/c1-6-22(10-16(23)20-12(2)3)11-17(24)21-15-9-13(18(25)27-4)7-8-14(15)19(26)28-5/h7-9,12H,6,10-11H2,1-5H3,(H,20,23)(H,21,24)/p+1
InChIKeySEUVICILIPZKJT-UHFFFAOYSA-O
XLogP-0.37
TPSA115.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

dimethyl 2-(hexanoylamino)benzene-1,4-dicarboxylate
CID 4686078
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906695
dimethyl 2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 8857832
dimethyl 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 8901831
dimethyl 2-(decanoylamino)benzene-1,4-dicarboxylate
CID 4183842
ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907288
dimethyl 2-(2-methylpentanoylamino)benzene-1,4-dicarboxylate
CID 3140483
[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907070
dimethyl 2-(3-cyclohexylpropanoylamino)benzene-1,4-dicarboxylate
CID 843119
dimethyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 110688899
[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054460
dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate
CID 9432979

Frequently Asked Questions

What is the IUPAC name of [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8907135) is [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC[NH+](CC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)CC(=O)NC(C)C.
What is the InChIKey of [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is SEUVICILIPZKJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N3O6/c1-6-22(10-16(23)20-12(2)3)11-17(24)21-15-9-13(18(25)27-4)7-8-14(15)19(26)28-5/h7-9,12H,6,10-11H2,1-5H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 394.45 g/mol, XLogP of -0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8907135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).