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

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Related Compounds

N-benzyl-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175347
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119271069
N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide
CID 43057959
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 78790714
N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46578162
N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide
CID 51188217
(3S)-N-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 2146555
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrimidin-2-ylmorpholine-2-carboxamide
CID 110246447
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175223
N-(2-methoxyethyl)-1-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 135854771
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9225247

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).