[2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium

C23H34N3O5+ — CID 8905045

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium
SMILESCCOC(=O)NC(=O)C[NH+](CC)CC(=O)N1c2ccc(OCC)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H33N3O5/c1-7-25(14-20(27)24-22(29)31-9-3)15-21(28)26-19-11-10-17(30-8-2)12-18(19)16(4)13-23(26,5)6/h10-13H,7-9,14-15H2,1-6H3,(H,24,27,29)/p+1
InChIKeyGGYGNHKLSLXJIO-UHFFFAOYSA-O
MW432.54 g/mol
LogP1.79
Rot. Bonds8

About [2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium

[2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium (PubChem CID 8905045) has the molecular formula C23H34N3O5+ and a molecular weight of 432.54 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium
PubChem CID8905045
Molecular FormulaC23H34N3O5+
Molecular Weight432.54 g/mol
Exact Mass432.25
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium
SMILESCCOC(=O)NC(=O)C[NH+](CC)CC(=O)N1c2ccc(OCC)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H33N3O5/c1-7-25(14-20(27)24-22(29)31-9-3)15-21(28)26-19-11-10-17(30-8-2)12-18(19)16(4)13-23(26,5)6/h10-13H,7-9,14-15H2,1-6H3,(H,24,27,29)/p+1
InChIKeyGGYGNHKLSLXJIO-UHFFFAOYSA-O
XLogP1.79
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium (CID 8905045) is [2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium is CCOC(=O)NC(=O)C[NH+](CC)CC(=O)N1c2ccc(OCC)cc2C(C)=CC1(C)C.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium?
The InChIKey is GGYGNHKLSLXJIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H33N3O5/c1-7-25(14-20(27)24-22(29)31-9-3)15-21(28)26-19-11-10-17(30-8-2)12-18(19)16(4)13-23(26,5)6/h10-13H,7-9,14-15H2,1-6H3,(H,24,27,29)/p+1.
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium?
[2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium has a molecular weight of 432.54 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl]-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8905045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).