[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

C21H27N4O4+ — CID 8001780

IUPAC[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)CC(=O)NC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H26N4O4/c1-14-5-10-18(15(2)11-14)23-21(28)24-20(27)13-25(3)12-19(26)22-16-6-8-17(29-4)9-7-16/h5-11H,12-13H2,1-4H3,(H,22,26)(H2,23,24,27,28)/p+1
InChIKeyIFCGCJKOVGBTQV-UHFFFAOYSA-O
MW399.47 g/mol
LogP1.11
Rot. Bonds7

About [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 8001780) has the molecular formula C21H27N4O4+ and a molecular weight of 399.47 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID8001780
Molecular FormulaC21H27N4O4+
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)CC(=O)NC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H26N4O4/c1-14-5-10-18(15(2)11-14)23-21(28)24-20(27)13-25(3)12-19(26)22-16-6-8-17(29-4)9-7-16/h5-11H,12-13H2,1-4H3,(H,22,26)(H2,23,24,27,28)/p+1
InChIKeyIFCGCJKOVGBTQV-UHFFFAOYSA-O
XLogP1.11
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium
CID 8717805
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8559275
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222891
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222568
4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9084001
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8818470
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9028002
[2-(2-fluoroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658345
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (CID 8001780) is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is COc1ccc(NC(=O)C[NH+](C)CC(=O)NC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is IFCGCJKOVGBTQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N4O4/c1-14-5-10-18(15(2)11-14)23-21(28)24-20(27)13-25(3)12-19(26)22-16-6-8-17(29-4)9-7-16/h5-11H,12-13H2,1-4H3,(H,22,26)(H2,23,24,27,28)/p+1.
What are the key properties of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 399.47 g/mol, XLogP of 1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8001780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).