[2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium

C17H24N3O+ — CID 9265471

IUPAC[2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
SMILESN#Cc1ccc(NC(=O)C[NH2+]C2CCCCCCC2)cc1
InChIInChI=1S/C17H23N3O/c18-12-14-8-10-16(11-9-14)20-17(21)13-19-15-6-4-2-1-3-5-7-15/h8-11,15,19H,1-7,13H2,(H,20,21)/p+1
InChIKeyRIDRHBVGVYFPHL-UHFFFAOYSA-O
MW286.40 g/mol
LogP2.17
Rot. Bonds4

About [2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium

[2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium (PubChem CID 9265471) has the molecular formula C17H24N3O+ and a molecular weight of 286.40 g/mol. Its IUPAC name is [2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium.

Molecular Properties

Compound Name[2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
PubChem CID9265471
Molecular FormulaC17H24N3O+
Molecular Weight286.40 g/mol
Exact Mass286.19
IUPAC Name[2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
SMILESN#Cc1ccc(NC(=O)C[NH2+]C2CCCCCCC2)cc1
InChIInChI=1S/C17H23N3O/c18-12-14-8-10-16(11-9-14)20-17(21)13-19-15-6-4-2-1-3-5-7-15/h8-11,15,19H,1-7,13H2,(H,20,21)/p+1
InChIKeyRIDRHBVGVYFPHL-UHFFFAOYSA-O
XLogP2.17
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265356
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
cyclopentyl-[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]azanium
CID 7406351
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
cyclooctyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium
CID 8559059
cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 7216647
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654596
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium?
The IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium (CID 9265471) is [2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium.
What is the SMILES notation for [2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium?
The canonical SMILES for [2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium is N#Cc1ccc(NC(=O)C[NH2+]C2CCCCCCC2)cc1.
What is the InChIKey of [2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium?
The InChIKey is RIDRHBVGVYFPHL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N3O/c18-12-14-8-10-16(11-9-14)20-17(21)13-19-15-6-4-2-1-3-5-7-15/h8-11,15,19H,1-7,13H2,(H,20,21)/p+1.
What are the key properties of [2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium?
[2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium has a molecular weight of 286.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium is sourced from PubChem (CID 9265471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).