N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

C19H19NO4 — CID 4911042

IUPACN-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2Cc3cc(C)ccc3C(=O)O2)cc1
InChIInChI=1S/C19H19NO4/c1-3-23-15-7-5-14(6-8-15)20-18(21)17-11-13-10-12(2)4-9-16(13)19(22)24-17/h4-10,17H,3,11H2,1-2H3,(H,20,21)
InChIKeyAFTGKUJORNLZNU-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.11
Rot. Bonds4

About N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 4911042) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID4911042
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2Cc3cc(C)ccc3C(=O)O2)cc1
InChIInChI=1S/C19H19NO4/c1-3-23-15-7-5-14(6-8-15)20-18(21)17-11-13-10-12(2)4-9-16(13)19(22)24-17/h4-10,17H,3,11H2,1-2H3,(H,20,21)
InChIKeyAFTGKUJORNLZNU-UHFFFAOYSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 2146555
6-methyl-N-(3-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4906193
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4906421
6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 165442221
1-oxo-N-(4-phenoxyphenyl)-3,4-dihydroisochromene-3-carboxamide
CID 43024623
methyl N-[4-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]phenyl]carbamate
CID 94103965
(3R)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42107404
(3S)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42107405
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 8571688
N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
CID 4912041
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 4911042) is N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide is CCOc1ccc(NC(=O)C2Cc3cc(C)ccc3C(=O)O2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is AFTGKUJORNLZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-23-15-7-5-14(6-8-15)20-18(21)17-11-13-10-12(2)4-9-16(13)19(22)24-17/h4-10,17H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 4911042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).