cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium

C18H29N2O+ — CID 9265308

IUPACcyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
SMILESCc1cccc(C)c1NC(=O)C[NH2+]C1CCCCCCC1
InChIInChI=1S/C18H28N2O/c1-14-9-8-10-15(2)18(14)20-17(21)13-19-16-11-6-4-3-5-7-12-16/h8-10,16,19H,3-7,11-13H2,1-2H3,(H,20,21)/p+1
InChIKeyUBWSUTWOFKZMNW-UHFFFAOYSA-O
MW289.44 g/mol
LogP2.92
Rot. Bonds4

About cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium

cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium (PubChem CID 9265308) has the molecular formula C18H29N2O+ and a molecular weight of 289.44 g/mol. Its IUPAC name is cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
PubChem CID9265308
Molecular FormulaC18H29N2O+
Molecular Weight289.44 g/mol
Exact Mass289.23
IUPAC Namecyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
SMILESCc1cccc(C)c1NC(=O)C[NH2+]C1CCCCCCC1
InChIInChI=1S/C18H28N2O/c1-14-9-8-10-15(2)18(14)20-17(21)13-19-16-11-6-4-3-5-7-12-16/h8-10,16,19H,3-7,11-13H2,1-2H3,(H,20,21)/p+1
InChIKeyUBWSUTWOFKZMNW-UHFFFAOYSA-O
XLogP2.92
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 2394747
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide
CID 11924348
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide
CID 61286420
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 11930988
N-(2,6-dimethylphenyl)but-3-enamide
CID 90820575
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8744449
cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
CID 8875644
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
The IUPAC name of cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium (CID 9265308) is cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
The canonical SMILES for cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium is Cc1cccc(C)c1NC(=O)C[NH2+]C1CCCCCCC1.
What is the InChIKey of cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
The InChIKey is UBWSUTWOFKZMNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N2O/c1-14-9-8-10-15(2)18(14)20-17(21)13-19-16-11-6-4-3-5-7-12-16/h8-10,16,19H,3-7,11-13H2,1-2H3,(H,20,21)/p+1.
What are the key properties of cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium has a molecular weight of 289.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9265308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).