N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H21NO4 — CID 42949307

IUPACN-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1cccc(OC2CCCC2)c1)C1COc2ccccc2O1
InChIInChI=1S/C20H21NO4/c22-20(19-13-23-17-10-3-4-11-18(17)25-19)21-14-6-5-9-16(12-14)24-15-7-1-2-8-15/h3-6,9-12,15,19H,1-2,7-8,13H2,(H,21,22)
InChIKeyDOSSIXSXEVMXEM-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.79
Rot. Bonds4

About N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 42949307) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID42949307
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1cccc(OC2CCCC2)c1)C1COc2ccccc2O1
InChIInChI=1S/C20H21NO4/c22-20(19-13-23-17-10-3-4-11-18(17)25-19)21-14-6-5-9-16(12-14)24-15-7-1-2-8-15/h3-6,9-12,15,19H,1-2,7-8,13H2,(H,21,22)
InChIKeyDOSSIXSXEVMXEM-UHFFFAOYSA-N
XLogP3.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-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

N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4075154
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17485174
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56508469
N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122302367
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18160948
(3S)-N-[3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7760069
dimethyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 2998842

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 42949307) is N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1cccc(OC2CCCC2)c1)C1COc2ccccc2O1.
What is the InChIKey of N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is DOSSIXSXEVMXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c22-20(19-13-23-17-10-3-4-11-18(17)25-19)21-14-6-5-9-16(12-14)24-15-7-1-2-8-15/h3-6,9-12,15,19H,1-2,7-8,13H2,(H,21,22).
What are the key properties of N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 42949307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).