[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium

C25H34N3O2+ — CID 9221937

IUPAC[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C25H33N3O2/c1-19-11-10-12-20(2)25(19)26-23(29)17-27(3)18-24(30)28(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4,6-7,10-14,22H,5,8-9,15-18H2,1-3H3,(H,26,29)/p+1
InChIKeyVIRBDAMQLLGFFU-UHFFFAOYSA-O
MW408.57 g/mol
LogP3.12
Rot. Bonds7

About [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium

[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9221937) has the molecular formula C25H34N3O2+ and a molecular weight of 408.57 g/mol. Its IUPAC name is [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
PubChem CID9221937
Molecular FormulaC25H34N3O2+
Molecular Weight408.57 g/mol
Exact Mass408.26
IUPAC Name[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C25H33N3O2/c1-19-11-10-12-20(2)25(19)26-23(29)17-27(3)18-24(30)28(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4,6-7,10-14,22H,5,8-9,15-18H2,1-3H3,(H,26,29)/p+1
InChIKeyVIRBDAMQLLGFFU-UHFFFAOYSA-O
XLogP3.12
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(N-cyclohexylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050143
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221977
cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 2394747
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8793858
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8710063
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
2-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917291
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 9222015
[2-(cyclopropylamino)-2-oxoethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 9053607
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9222103
[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772439
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8755007

Frequently Asked Questions

What is the IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium (CID 9221937) is [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium is Cc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is VIRBDAMQLLGFFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H33N3O2/c1-19-11-10-12-20(2)25(19)26-23(29)17-27(3)18-24(30)28(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4,6-7,10-14,22H,5,8-9,15-18H2,1-3H3,(H,26,29)/p+1.
What are the key properties of [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 408.57 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9221937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).