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

C19H21NO5 — CID 2709620

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H21NO5/c1-22-15-5-7-16(8-6-15)23-10-2-3-19(21)20-14-4-9-17-18(13-14)25-12-11-24-17/h4-9,13H,2-3,10-12H2,1H3,(H,20,21)
InChIKeyFPDJIVBXHOSSAU-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.26
Rot. Bonds7

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide (PubChem CID 2709620) 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-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide
PubChem CID2709620
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H21NO5/c1-22-15-5-7-16(8-6-15)23-10-2-3-19(21)20-14-4-9-17-18(13-14)25-12-11-24-17/h4-9,13H,2-3,10-12H2,1H3,(H,20,21)
InChIKeyFPDJIVBXHOSSAU-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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide (CID 2709620) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide?
The InChIKey is FPDJIVBXHOSSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-15-5-7-16(8-6-15)23-10-2-3-19(21)20-14-4-9-17-18(13-14)25-12-11-24-17/h4-9,13H,2-3,10-12H2,1H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenoxy)butanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-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-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 2709620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).