(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide

C19H19NO4 — CID 30855892

IUPAC(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)[C@H]1Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H19NO4/c1-23-12-15-8-3-2-7-14(15)11-20-18(21)17-10-13-6-4-5-9-16(13)19(22)24-17/h2-9,17H,10-12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyNYKTWGZIRVAXGB-QGZVFWFLSA-N
MW325.36 g/mol
LogP2.23
Rot. Bonds5

About (3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide

(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 30855892) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID30855892
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)[C@H]1Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H19NO4/c1-23-12-15-8-3-2-7-14(15)11-20-18(21)17-10-13-6-4-5-9-16(13)19(22)24-17/h2-9,17H,10-12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyNYKTWGZIRVAXGB-QGZVFWFLSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-7-chloro-N-[(2-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 9151153
(3S)-N-[2-(2-fluorophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 9117473
(3R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 40919181
(3R)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 40919179
(3R)-1-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 31926300
methyl N-[4-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]phenyl]carbamate
CID 94103965
(3S)-1-oxo-N-phenylmethoxy-3,4-dihydroisochromene-3-carboxamide
CID 95276381
(3S)-N-[2-(4-methylphenyl)-2-oxoethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 7378930
(3S)-N-(2-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 753364
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 78790714
(3R)-1-oxo-N-phenyl-3,4-dihydroisochromene-3-carboxamide
CID 2146542
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 16649057

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of (3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 30855892) is (3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide is COCc1ccccc1CNC(=O)[C@H]1Cc2ccccc2C(=O)O1.
What is the InChIKey of (3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is NYKTWGZIRVAXGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-12-15-8-3-2-7-14(15)11-20-18(21)17-10-13-6-4-5-9-16(13)19(22)24-17/h2-9,17H,10-12H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide?
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(methoxymethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 30855892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).