N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C21H25NO4 — CID 60597365

IUPACN-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCOCCN(CCCc1ccccc1)C(=O)c1cccc2c1OCCO2
InChIInChI=1S/C21H25NO4/c1-24-14-13-22(12-6-9-17-7-3-2-4-8-17)21(23)18-10-5-11-19-20(18)26-16-15-25-19/h2-5,7-8,10-11H,6,9,12-16H2,1H3
InChIKeyIQHWBGJZWDCGNT-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.18
Rot. Bonds8

About N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 60597365) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID60597365
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCOCCN(CCCc1ccccc1)C(=O)c1cccc2c1OCCO2
InChIInChI=1S/C21H25NO4/c1-24-14-13-22(12-6-9-17-7-3-2-4-8-17)21(23)18-10-5-11-19-20(18)26-16-15-25-19/h2-5,7-8,10-11H,6,9,12-16H2,1H3
InChIKeyIQHWBGJZWDCGNT-UHFFFAOYSA-N
XLogP3.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 60597365) is N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is COCCN(CCCc1ccccc1)C(=O)c1cccc2c1OCCO2.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is IQHWBGJZWDCGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-14-13-22(12-6-9-17-7-3-2-4-8-17)21(23)18-10-5-11-19-20(18)26-16-15-25-19/h2-5,7-8,10-11H,6,9,12-16H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 60597365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).