2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide

C20H24N2O — CID 86952686

IUPAC2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide
SMILESCC1CCC(=CC(=O)NCCc2cccc3cccnc23)CC1
InChIInChI=1S/C20H24N2O/c1-15-7-9-16(10-8-15)14-19(23)21-13-11-18-5-2-4-17-6-3-12-22-20(17)18/h2-6,12,14-15H,7-11,13H2,1H3,(H,21,23)/b16-14-
InChIKeySZEJTXWJJUPAOL-PEZBUJJGSA-N
MW308.43 g/mol
LogP4.03
Rot. Bonds4

About 2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide

2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 86952686) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID86952686
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide
SMILESCC1CCC(=CC(=O)NCCc2cccc3cccnc23)CC1
InChIInChI=1S/C20H24N2O/c1-15-7-9-16(10-8-15)14-19(23)21-13-11-18-5-2-4-17-6-3-12-22-20(17)18/h2-6,12,14-15H,7-11,13H2,1H3,(H,21,23)/b16-14-
InChIKeySZEJTXWJJUPAOL-PEZBUJJGSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
5-methyl-N-(2-quinolin-8-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 42935346
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 81428574
2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride
CID 119840582
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
N-(2-quinolin-8-ylethyl)piperidine-3-carboxamide
CID 78982428
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide (CID 86952686) is 2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide is CC1CCC(=CC(=O)NCCc2cccc3cccnc23)CC1.
What is the InChIKey of 2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is SZEJTXWJJUPAOL-PEZBUJJGSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-7-9-16(10-8-15)14-19(23)21-13-11-18-5-2-4-17-6-3-12-22-20(17)18/h2-6,12,14-15H,7-11,13H2,1H3,(H,21,23)/b16-14-.
What are the key properties of 2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide?
2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 86952686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).