[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium

C22H29ClN3O2+ — CID 8780392

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C22H28ClN3O2/c1-5-26(14-22(28)25-20-12-17(23)11-10-16(20)4)13-21(27)24-19-9-7-6-8-18(19)15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,24,27)(H,25,28)/p+1
InChIKeyIAVFQGQRAIQBKD-UHFFFAOYSA-O
MW402.95 g/mol
LogP3.25
Rot. Bonds8

About [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium (PubChem CID 8780392) has the molecular formula C22H29ClN3O2+ and a molecular weight of 402.95 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
PubChem CID8780392
Molecular FormulaC22H29ClN3O2+
Molecular Weight402.95 g/mol
Exact Mass402.19
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C22H28ClN3O2/c1-5-26(14-22(28)25-20-12-17(23)11-10-16(20)4)13-21(27)24-19-9-7-6-8-18(19)15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,24,27)(H,25,28)/p+1
InChIKeyIAVFQGQRAIQBKD-UHFFFAOYSA-O
XLogP3.25
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780428
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium
CID 8791722
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8791716
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780418
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium
CID 9038856
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium
CID 8791833
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-ethylazanium
CID 8780492
benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8541329
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]azanium
CID 8780465
2-(2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 26507373
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium (CID 8780392) is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium is CC[NH+](CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The InChIKey is IAVFQGQRAIQBKD-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28ClN3O2/c1-5-26(14-22(28)25-20-12-17(23)11-10-16(20)4)13-21(27)24-19-9-7-6-8-18(19)15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,24,27)(H,25,28)/p+1.
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium has a molecular weight of 402.95 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium is sourced from PubChem (CID 8780392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).