N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide

C19H21NO5 — CID 2954602

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide
SMILESCOc1ccccc1OCCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21NO5/c1-22-15-5-2-3-6-16(15)23-10-4-7-19(21)20-14-8-9-17-18(13-14)25-12-11-24-17/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,20,21)
InChIKeyWUKWATIDYIFQIF-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.26
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide (PubChem CID 2954602) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide
PubChem CID2954602
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide
SMILESCOc1ccccc1OCCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21NO5/c1-22-15-5-2-3-6-16(15)23-10-4-7-19(21)20-14-8-9-17-18(13-14)25-12-11-24-17/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,20,21)
InChIKeyWUKWATIDYIFQIF-UHFFFAOYSA-N
XLogP3.26
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Diethofencarb
CID 91742
Diamfenetide
CID 37384
Amg-9810
CID 680502
N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
[4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate
CID 70696645
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788369
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 886009

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide (CID 2954602) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide is COc1ccccc1OCCCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide?
The InChIKey is WUKWATIDYIFQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-15-5-2-3-6-16(15)23-10-4-7-19(21)20-14-8-9-17-18(13-14)25-12-11-24-17/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide has a molecular weight of 343.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 2954602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).