2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C24H21NO6 — CID 2579090

IUPAC2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C24H21NO6/c1-28-18-8-9-19(24(27)16-5-3-2-4-6-16)21(14-18)31-15-23(26)25-17-7-10-20-22(13-17)30-12-11-29-20/h2-10,13-14H,11-12,15H2,1H3,(H,25,26)
InChIKeyHHGUCYIHWYOZNK-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.71
Rot. Bonds7

About 2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 2579090) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID2579090
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C24H21NO6/c1-28-18-8-9-19(24(27)16-5-3-2-4-6-16)21(14-18)31-15-23(26)25-17-7-10-20-22(13-17)30-12-11-29-20/h2-10,13-14H,11-12,15H2,1H3,(H,25,26)
InChIKeyHHGUCYIHWYOZNK-UHFFFAOYSA-N
XLogP3.71
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide
CID 8932851
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43823034
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 110370718
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215
methyl 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]phenyl]acetate
CID 7695270
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 7707153
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-phenoxybenzoate
CID 2503162
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 2579090) is 2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is HHGUCYIHWYOZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-28-18-8-9-19(24(27)16-5-3-2-4-6-16)21(14-18)31-15-23(26)25-17-7-10-20-22(13-17)30-12-11-29-20/h2-10,13-14H,11-12,15H2,1H3,(H,25,26).
What are the key properties of 2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 419.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-5-methoxyphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 2579090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).