(2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide

C20H19NO6 — CID 95166692

IUPAC(2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)O[C@H]2c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H19NO6/c1-24-14-5-3-13(4-6-14)21-20(23)15-11-18(22)27-19(15)12-2-7-16-17(10-12)26-9-8-25-16/h2-7,10,15,19H,8-9,11H2,1H3,(H,21,23)/t15-,19+/m1/s1
InChIKeyMDVUWYKZQSMIOL-BEFAXECRSA-N
MW369.37 g/mol
LogP2.71
Rot. Bonds4

About (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide

(2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide (PubChem CID 95166692) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
PubChem CID95166692
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name(2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)O[C@H]2c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H19NO6/c1-24-14-5-3-13(4-6-14)21-20(23)15-11-18(22)27-19(15)12-2-7-16-17(10-12)26-9-8-25-16/h2-7,10,15,19H,8-9,11H2,1H3,(H,21,23)/t15-,19+/m1/s1
InChIKeyMDVUWYKZQSMIOL-BEFAXECRSA-N
XLogP2.71
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-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

Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
CID 46949162
(2S,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methoxyphenyl)methyl]-5-oxooxolane-3-carboxamide
CID 95166716
(2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxooxolane-3-carboxylic acid
CID 95166968
(2S,3R)-1-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40986245
(2R,3S)-N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 975811
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 51172227
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143680
N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119421668
(2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 7301249
4-[[(2R,3R)-5-oxo-2-phenyloxolane-3-carbonyl]amino]benzoic acid
CID 845236
N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 2827348
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564617

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide (CID 95166692) is (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CC(=O)O[C@H]2c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide?
The InChIKey is MDVUWYKZQSMIOL-BEFAXECRSA-N. The full InChI is InChI=1S/C20H19NO6/c1-24-14-5-3-13(4-6-14)21-20(23)15-11-18(22)27-19(15)12-2-7-16-17(10-12)26-9-8-25-16/h2-7,10,15,19H,8-9,11H2,1H3,(H,21,23)/t15-,19+/m1/s1.
What are the key properties of (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide?
(2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 95166692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).