N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide

C19H24N2O4 — CID 43985264

IUPACN-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
SMILESCCCn1ccc2c(OCC(=O)NCC3CCCO3)cccc2c1=O
InChIInChI=1S/C19H24N2O4/c1-2-9-21-10-8-15-16(19(21)23)6-3-7-17(15)25-13-18(22)20-12-14-5-4-11-24-14/h3,6-8,10,14H,2,4-5,9,11-13H2,1H3,(H,20,22)
InChIKeyUNMLYZSGHCJAMC-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.09
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide

N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide (PubChem CID 43985264) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
PubChem CID43985264
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
SMILESCCCn1ccc2c(OCC(=O)NCC3CCCO3)cccc2c1=O
InChIInChI=1S/C19H24N2O4/c1-2-9-21-10-8-15-16(19(21)23)6-3-7-17(15)25-13-18(22)20-12-14-5-4-11-24-14/h3,6-8,10,14H,2,4-5,9,11-13H2,1H3,(H,20,22)
InChIKeyUNMLYZSGHCJAMC-UHFFFAOYSA-N
XLogP2.09
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7293148
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7293149
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 43985196
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293213
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
CID 7293336
2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 82810102
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide (CID 43985264) is N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide is CCCn1ccc2c(OCC(=O)NCC3CCCO3)cccc2c1=O.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
The InChIKey is UNMLYZSGHCJAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-9-21-10-8-15-16(19(21)23)6-3-7-17(15)25-13-18(22)20-12-14-5-4-11-24-14/h3,6-8,10,14H,2,4-5,9,11-13H2,1H3,(H,20,22).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide?
N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide has a molecular weight of 344.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 43985264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).