N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

C20H21NO5 — CID 43020017

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)C2Cc3ccccc3C(=O)O2)cc1
InChIInChI=1S/C20H21NO5/c1-21(11-12-25-16-9-7-15(24-2)8-10-16)19(22)18-13-14-5-3-4-6-17(14)20(23)26-18/h3-10,18H,11-13H2,1-2H3
InChIKeyGWHKHMUQXYBAFI-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 43020017) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID43020017
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)C2Cc3ccccc3C(=O)O2)cc1
InChIInChI=1S/C20H21NO5/c1-21(11-12-25-16-9-7-15(24-2)8-10-16)19(22)18-13-14-5-3-4-6-17(14)20(23)26-18/h3-10,18H,11-13H2,1-2H3
InChIKeyGWHKHMUQXYBAFI-UHFFFAOYSA-N
XLogP2.31
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 43020017) is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide is COc1ccc(OCCN(C)C(=O)C2Cc3ccccc3C(=O)O2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is GWHKHMUQXYBAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-21(11-12-25-16-9-7-15(24-2)8-10-16)19(22)18-13-14-5-3-4-6-17(14)20(23)26-18/h3-10,18H,11-13H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 43020017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).