N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide

C20H24N2O3 — CID 43985294

IUPACN-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
SMILESC=CCn1ccc2c(OCC(=O)NC3CCCCC3)cccc2c1=O
InChIInChI=1S/C20H24N2O3/c1-2-12-22-13-11-16-17(20(22)24)9-6-10-18(16)25-14-19(23)21-15-7-4-3-5-8-15/h2,6,9-11,13,15H,1,3-5,7-8,12,14H2,(H,21,23)
InChIKeyCCEXYIJKQJLJTQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.02
Rot. Bonds6

About N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide

N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide (PubChem CID 43985294) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
PubChem CID43985294
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
SMILESC=CCn1ccc2c(OCC(=O)NC3CCCCC3)cccc2c1=O
InChIInChI=1S/C20H24N2O3/c1-2-12-22-13-11-16-17(20(22)24)9-6-10-18(16)25-14-19(23)21-15-7-4-3-5-8-15/h2,6,9-11,13,15H,1,3-5,7-8,12,14H2,(H,21,23)
InChIKeyCCEXYIJKQJLJTQ-UHFFFAOYSA-N
XLogP3.02
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 7293273
N-cyclopentyl-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293095
2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxy-N-propylacetamide
CID 43985309
N-(2-methylphenyl)-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 7293248
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239263
N-(2-ethoxyphenyl)-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 7293257
2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxy-N-(1,3-thiazol-2-yl)acetamide
CID 43985301
N-(2,4-dimethoxyphenyl)-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 7293259
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-prop-2-enylacetamide
CID 18575801
5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-prop-2-enylisoquinolin-1-one
CID 43985578
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994
N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride
CID 2986947

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide (CID 43985294) is N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide is C=CCn1ccc2c(OCC(=O)NC3CCCCC3)cccc2c1=O.
What is the InChIKey of N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide?
The InChIKey is CCEXYIJKQJLJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-12-22-13-11-16-17(20(22)24)9-6-10-18(16)25-14-19(23)21-15-7-4-3-5-8-15/h2,6,9-11,13,15H,1,3-5,7-8,12,14H2,(H,21,23).
What are the key properties of N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide?
N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide has a molecular weight of 340.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 43985294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).