(3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H21NO5 — CID 857312

IUPAC(3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)[C@H]2COc3ccccc3O2)c1
InChIInChI=1S/C19H21NO5/c1-3-22-13-9-10-15(23-4-2)14(11-13)20-19(21)18-12-24-16-7-5-6-8-17(16)25-18/h5-11,18H,3-4,12H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyVFDMVJDIOBKLBW-GOSISDBHSA-N
MW343.38 g/mol
LogP3.26
Rot. Bonds6

About (3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 857312) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID857312
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)[C@H]2COc3ccccc3O2)c1
InChIInChI=1S/C19H21NO5/c1-3-22-13-9-10-15(23-4-2)14(11-13)20-19(21)18-12-24-16-7-5-6-8-17(16)25-18/h5-11,18H,3-4,12H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyVFDMVJDIOBKLBW-GOSISDBHSA-N
XLogP3.26
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[2-(4-ethoxyphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8873811
(3R)-N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41179839
(3S)-N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41179838
(3R)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5406917
(3R)-N'-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7940854
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3162267
ethyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoate
CID 687625
(3R)-N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724295
2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone
CID 65351114
(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2207639
(3R)-N-(2-ethylsulfanylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7463995
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 857312) is (3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)[C@H]2COc3ccccc3O2)c1.
What is the InChIKey of (3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is VFDMVJDIOBKLBW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-22-13-9-10-15(23-4-2)14(11-13)20-19(21)18-12-24-16-7-5-6-8-17(16)25-18/h5-11,18H,3-4,12H2,1-2H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 857312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).