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

C19H22N2O3 — CID 7293273

IUPACN-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
SMILESC=CCn1ccc2c(OCC(=O)NC3CCCC3)cccc2c1=O
InChIInChI=1S/C19H22N2O3/c1-2-11-21-12-10-15-16(19(21)23)8-5-9-17(15)24-13-18(22)20-14-6-3-4-7-14/h2,5,8-10,12,14H,1,3-4,6-7,11,13H2,(H,20,22)
InChIKeyMFUFSSSCAVDWIC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.63
Rot. Bonds6

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

N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide (PubChem CID 7293273) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
PubChem CID7293273
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
SMILESC=CCn1ccc2c(OCC(=O)NC3CCCC3)cccc2c1=O
InChIInChI=1S/C19H22N2O3/c1-2-11-21-12-10-15-16(19(21)23)8-5-9-17(15)24-13-18(22)20-14-6-3-4-7-14/h2,5,8-10,12,14H,1,3-4,6-7,11,13H2,(H,20,22)
InChIKeyMFUFSSSCAVDWIC-UHFFFAOYSA-N
XLogP2.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 43985294
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-(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
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239263
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
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide (CID 7293273) is N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide is C=CCn1ccc2c(OCC(=O)NC3CCCC3)cccc2c1=O.
What is the InChIKey of N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide?
The InChIKey is MFUFSSSCAVDWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-11-21-12-10-15-16(19(21)23)8-5-9-17(15)24-13-18(22)20-14-6-3-4-7-14/h2,5,8-10,12,14H,1,3-4,6-7,11,13H2,(H,20,22).
What are the key properties of N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide?
N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide has a molecular weight of 326.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 7293273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).