[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

C17H26N3O2+ — CID 8772439

IUPAC[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-18-16(21)12-19-13-17(22)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2,4-5,8-9,15,19H,3,6-7,10-13H2,1H3,(H,18,21)/p+1
InChIKeySCLNBRZZYRKJDO-UHFFFAOYSA-O
MW304.41 g/mol
LogP0.66
Rot. Bonds6

About [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 8772439) has the molecular formula C17H26N3O2+ and a molecular weight of 304.41 g/mol. Its IUPAC name is [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID8772439
Molecular FormulaC17H26N3O2+
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-18-16(21)12-19-13-17(22)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2,4-5,8-9,15,19H,3,6-7,10-13H2,1H3,(H,18,21)/p+1
InChIKeySCLNBRZZYRKJDO-UHFFFAOYSA-O
XLogP0.66
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 7188171
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391
[2-(N-cyclohexylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050143
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
[2-(N-cyclohexylanilino)-2-oxoethyl]-(3,3-dimethylbutan-2-yl)-methanethioyl-(methylamino)azanium
CID 90948874
[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221937
1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid
CID 90738858
(2R)-2-chloro-N-cyclohexyl-N-phenylpropanamide
CID 97357253
N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide
CID 22251074
3-(N-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]anilino)-3-oxopropanoic acid
CID 90268724
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214

Frequently Asked Questions

What is the IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (CID 8772439) is [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is CNC(=O)C[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is SCLNBRZZYRKJDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O2/c1-18-16(21)12-19-13-17(22)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2,4-5,8-9,15,19H,3,6-7,10-13H2,1H3,(H,18,21)/p+1.
What are the key properties of [2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 304.41 g/mol, XLogP of 0.66, 6 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-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8772439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).