cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium

C16H25N2O+ — CID 8902222

IUPACcyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccccc1NC(=O)C[NH+](C)C1CCCCC1
InChIInChI=1S/C16H24N2O/c1-13-8-6-7-11-15(13)17-16(19)12-18(2)14-9-4-3-5-10-14/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H,17,19)/p+1
InChIKeyWAKZCQISEFTWBN-UHFFFAOYSA-O
MW261.39 g/mol
LogP1.78
Rot. Bonds4

About cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium

cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium (PubChem CID 8902222) has the molecular formula C16H25N2O+ and a molecular weight of 261.39 g/mol. Its IUPAC name is cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
PubChem CID8902222
Molecular FormulaC16H25N2O+
Molecular Weight261.39 g/mol
Exact Mass261.20
IUPAC Namecyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccccc1NC(=O)C[NH+](C)C1CCCCC1
InChIInChI=1S/C16H24N2O/c1-13-8-6-7-11-15(13)17-16(19)12-18(2)14-9-4-3-5-10-14/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H,17,19)/p+1
InChIKeyWAKZCQISEFTWBN-UHFFFAOYSA-O
XLogP1.78
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium
CID 2536830
methyl-[2-(2-methylanilino)-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260623
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8809985
cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 2394747
2-(cyclopentyloxyamino)-N-(2-methylphenyl)acetamide
CID 83228788
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8756671
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900
cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium
CID 9104659
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium (CID 8902222) is cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium is Cc1ccccc1NC(=O)C[NH+](C)C1CCCCC1.
What is the InChIKey of cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium?
The InChIKey is WAKZCQISEFTWBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N2O/c1-13-8-6-7-11-15(13)17-16(19)12-18(2)14-9-4-3-5-10-14/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H,17,19)/p+1.
What are the key properties of cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium?
cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium has a molecular weight of 261.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8902222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).