[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium

C22H29N4O4+ — CID 8791293

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCc1cccc(OC)c1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H28N4O4/c1-4-26(14-21(28)23-13-17-6-5-7-20(12-17)30-3)15-22(29)25-19-10-8-18(9-11-19)24-16(2)27/h5-12H,4,13-15H2,1-3H3,(H,23,28)(H,24,27)(H,25,29)/p+1
InChIKeyUKTOBJBKYGHASB-UHFFFAOYSA-O
MW413.50 g/mol
LogP0.81
Rot. Bonds10

About [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 8791293) has the molecular formula C22H29N4O4+ and a molecular weight of 413.50 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
PubChem CID8791293
Molecular FormulaC22H29N4O4+
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCc1cccc(OC)c1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H28N4O4/c1-4-26(14-21(28)23-13-17-6-5-7-20(12-17)30-3)15-22(29)25-19-10-8-18(9-11-19)24-16(2)27/h5-12H,4,13-15H2,1-3H3,(H,23,28)(H,24,27)(H,25,29)/p+1
InChIKeyUKTOBJBKYGHASB-UHFFFAOYSA-O
XLogP0.81
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8816741
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025698
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9025827
N-(4-acetamidophenyl)-2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetamide
CID 8779580
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026504
1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110550
(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714062
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
(3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9027418

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium (CID 8791293) is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium is CC[NH+](CC(=O)NCc1cccc(OC)c1)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is UKTOBJBKYGHASB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N4O4/c1-4-26(14-21(28)23-13-17-6-5-7-20(12-17)30-3)15-22(29)25-19-10-8-18(9-11-19)24-16(2)27/h5-12H,4,13-15H2,1-3H3,(H,23,28)(H,24,27)(H,25,29)/p+1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 413.50 g/mol, XLogP of 0.81, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8791293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).