N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide

C16H20N2O3 — CID 7385132

IUPACN-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
SMILESO=C(COc1cccc2c1CCNC2=O)NC1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(18-11-4-1-2-5-11)10-21-14-7-3-6-13-12(14)8-9-17-16(13)20/h3,6-7,11H,1-2,4-5,8-10H2,(H,17,20)(H,18,19)
InChIKeyATWDRGYLKDALLD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.41
Rot. Bonds4

About N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide

N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide (PubChem CID 7385132) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
PubChem CID7385132
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
SMILESO=C(COc1cccc2c1CCNC2=O)NC1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(18-11-4-1-2-5-11)10-21-14-7-3-6-13-12(14)8-9-17-16(13)20/h3,6-7,11H,1-2,4-5,8-10H2,(H,17,20)(H,18,19)
InChIKeyATWDRGYLKDALLD-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402250
N-cyclopentyl-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 103045089
N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide
CID 76984645
N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385130
4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide
CID 7385141
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopentylacetamide
CID 63090820
N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
CID 2152155
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
N-cyclopropyl-2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetamide
CID 63091231
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N-cyclopropyl-2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 65455358
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide (CID 7385132) is N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide is O=C(COc1cccc2c1CCNC2=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The InChIKey is ATWDRGYLKDALLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(18-11-4-1-2-5-11)10-21-14-7-3-6-13-12(14)8-9-17-16(13)20/h3,6-7,11H,1-2,4-5,8-10H2,(H,17,20)(H,18,19).
What are the key properties of N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide is sourced from PubChem (CID 7385132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).