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

C17H22N2O3 — CID 7385133

IUPACN-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
SMILESO=C(COc1cccc2c1CCNC2=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O3/c20-16(19-12-5-2-1-3-6-12)11-22-15-8-4-7-14-13(15)9-10-18-17(14)21/h4,7-8,12H,1-3,5-6,9-11H2,(H,18,21)(H,19,20)
InChIKeyJVYANTYSEIPJHV-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.80
Rot. Bonds4

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

N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide (PubChem CID 7385133) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
PubChem CID7385133
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
SMILESO=C(COc1cccc2c1CCNC2=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O3/c20-16(19-12-5-2-1-3-6-12)11-22-15-8-4-7-14-13(15)9-10-18-17(14)21/h4,7-8,12H,1-3,5-6,9-11H2,(H,18,21)(H,19,20)
InChIKeyJVYANTYSEIPJHV-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide (CID 7385133) is N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide is O=C(COc1cccc2c1CCNC2=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The InChIKey is JVYANTYSEIPJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(19-12-5-2-1-3-6-12)11-22-15-8-4-7-14-13(15)9-10-18-17(14)21/h4,7-8,12H,1-3,5-6,9-11H2,(H,18,21)(H,19,20).
What are the key properties of N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide is sourced from PubChem (CID 7385133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).