N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide

C20H21NO6 — CID 131894546

IUPACN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)Nc1cc2c(cc1C(C)=O)OCCO2
InChIInChI=1S/C20H21NO6/c1-12(22)14-10-18-19(26-9-8-25-18)11-15(14)21-20(23)13(2)27-17-7-5-4-6-16(17)24-3/h4-7,10-11,13H,8-9H2,1-3H3,(H,21,23)
InChIKeyMBVSKVYXIBELNS-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.08
Rot. Bonds6

About N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide (PubChem CID 131894546) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide
PubChem CID131894546
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC NameN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)Nc1cc2c(cc1C(C)=O)OCCO2
InChIInChI=1S/C20H21NO6/c1-12(22)14-10-18-19(26-9-8-25-18)11-15(14)21-20(23)13(2)27-17-7-5-4-6-16(17)24-3/h4-7,10-11,13H,8-9H2,1-3H3,(H,21,23)
InChIKeyMBVSKVYXIBELNS-UHFFFAOYSA-N
XLogP3.08
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide 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-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 18076874
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-methylphenoxy)propanamide
CID 837344
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide
CID 17433977
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide
CID 43024719
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
CID 9181052
N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 53286451
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide
CID 9345383
2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
CID 5311859

Frequently Asked Questions

What is the IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide (CID 131894546) is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide is COc1ccccc1OC(C)C(=O)Nc1cc2c(cc1C(C)=O)OCCO2.
What is the InChIKey of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide?
The InChIKey is MBVSKVYXIBELNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-12(22)14-10-18-19(26-9-8-25-18)11-15(14)21-20(23)13(2)27-17-7-5-4-6-16(17)24-3/h4-7,10-11,13H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide?
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide has a molecular weight of 371.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 131894546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).