2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide

C21H23NO4 — CID 129403449

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)N[C@@H]1COc2ccccc2C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H23NO4/c1-21(2,15-7-8-18-19(12-15)25-10-9-24-18)20(23)22-16-11-14-5-3-4-6-17(14)26-13-16/h3-8,12,16H,9-11,13H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyQNEMWXYCUHWVSW-INIZCTEOSA-N
MW353.42 g/mol
LogP2.86
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide (PubChem CID 129403449) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide
PubChem CID129403449
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)N[C@@H]1COc2ccccc2C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H23NO4/c1-21(2,15-7-8-18-19(12-15)25-10-9-24-18)20(23)22-16-11-14-5-3-4-6-17(14)26-13-16/h3-8,12,16H,9-11,13H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyQNEMWXYCUHWVSW-INIZCTEOSA-N
XLogP2.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794924
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 113197955
2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 146450882
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)-2-methylpropanamide
CID 113197945
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 92713528
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120574644
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide (CID 129403449) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide is CC(C)(C(=O)N[C@@H]1COc2ccccc2C1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide?
The InChIKey is QNEMWXYCUHWVSW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23NO4/c1-21(2,15-7-8-18-19(12-15)25-10-9-24-18)20(23)22-16-11-14-5-3-4-6-17(14)26-13-16/h3-8,12,16H,9-11,13H2,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide has a molecular weight of 353.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide is sourced from PubChem (CID 129403449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).