2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide

C15H21NO4 — CID 110610391

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO4/c1-11(2)18-6-5-16-15(17)10-12-3-4-13-14(9-12)20-8-7-19-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,17)
InChIKeySGSOJIDVBOMCAI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide (PubChem CID 110610391) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide
PubChem CID110610391
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO4/c1-11(2)18-6-5-16-15(17)10-12-3-4-13-14(9-12)20-8-7-19-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,17)
InChIKeySGSOJIDVBOMCAI-UHFFFAOYSA-N
XLogP1.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 26710403
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenoxyethyl)acetamide
CID 26903201
N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24548378
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxypropyl)acetamide
CID 92670427
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]acetamide
CID 110633665
N-[2-(diethylamino)propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110620316
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110767459
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynylacetamide
CID 18109939
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 110627843
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207031
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 30542602

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide (CID 110610391) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide is CC(C)OCCNC(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide?
The InChIKey is SGSOJIDVBOMCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(2)18-6-5-16-15(17)10-12-3-4-13-14(9-12)20-8-7-19-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide is sourced from PubChem (CID 110610391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).