[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium

C22H29N4O4+ — CID 9027195

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C22H28N4O4/c1-5-26(15-21(28)24-18-10-12-19(30-4)13-11-18)14-20(27)23-17-8-6-16(7-9-17)22(29)25(2)3/h6-13H,5,14-15H2,1-4H3,(H,23,27)(H,24,28)/p+1
InChIKeyAIYVJRQTUOOYJG-UHFFFAOYSA-O
MW413.50 g/mol
LogP0.88
Rot. Bonds9

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9027195) has the molecular formula C22H29N4O4+ and a molecular weight of 413.50 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9027195
Molecular FormulaC22H29N4O4+
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C22H28N4O4/c1-5-26(15-21(28)24-18-10-12-19(30-4)13-11-18)14-20(27)23-17-8-6-16(7-9-17)22(29)25(2)3/h6-13H,5,14-15H2,1-4H3,(H,23,27)(H,24,28)/p+1
InChIKeyAIYVJRQTUOOYJG-UHFFFAOYSA-O
XLogP0.88
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9027389
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
CID 2442436
benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541556
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 9433372
4-[(4-methoxyphenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 8684720
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9028002
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808191
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium (CID 9027195) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is AIYVJRQTUOOYJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N4O4/c1-5-26(15-21(28)24-18-10-12-19(30-4)13-11-18)14-20(27)23-17-8-6-16(7-9-17)22(29)25(2)3/h6-13H,5,14-15H2,1-4H3,(H,23,27)(H,24,28)/p+1.
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 413.50 g/mol, XLogP of 0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9027195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).