[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium

C22H29N4O4+ — CID 8789619

IUPAC[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C22H28N4O4/c1-5-16-8-6-7-9-18(16)24-21(28)13-26(3)14-22(29)25-19-12-17(23-15(2)27)10-11-20(19)30-4/h6-12H,5,13-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)/p+1
InChIKeyWSQMMZKNJGAKNX-UHFFFAOYSA-O
MW413.50 g/mol
LogP1.31
Rot. Bonds9

About [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 8789619) has the molecular formula C22H29N4O4+ and a molecular weight of 413.50 g/mol. Its IUPAC name is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
PubChem CID8789619
Molecular FormulaC22H29N4O4+
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C22H28N4O4/c1-5-16-8-6-7-9-18(16)24-21(28)13-26(3)14-22(29)25-19-12-17(23-15(2)27)10-11-20(19)30-4/h6-12H,5,13-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)/p+1
InChIKeyWSQMMZKNJGAKNX-UHFFFAOYSA-O
XLogP1.31
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8818470
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
N-(3,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 44999448
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8556455
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9304175
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9222379
N-(5-acetamido-2-methoxyphenyl)-2-(2-benzylphenoxy)acetamide
CID 7925379
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 8844622

Frequently Asked Questions

What is the IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (CID 8789619) is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is CCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1cc(NC(C)=O)ccc1OC.
What is the InChIKey of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is WSQMMZKNJGAKNX-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N4O4/c1-5-16-8-6-7-9-18(16)24-21(28)13-26(3)14-22(29)25-19-12-17(23-15(2)27)10-11-20(19)30-4/h6-12H,5,13-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)/p+1.
What are the key properties of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 413.50 g/mol, XLogP of 1.31, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8789619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).