N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide

C19H21NO4 — CID 110789849

IUPACN-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
SMILESCc1cc2c(cc1CCNC(=O)COc1ccccc1)OCCO2
InChIInChI=1S/C19H21NO4/c1-14-11-17-18(23-10-9-22-17)12-15(14)7-8-20-19(21)13-24-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13H2,1H3,(H,20,21)
InChIKeyVBLOQHNPGCINEK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide

N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide (PubChem CID 110789849) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
PubChem CID110789849
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
SMILESCc1cc2c(cc1CCNC(=O)COc1ccccc1)OCCO2
InChIInChI=1S/C19H21NO4/c1-14-11-17-18(23-10-9-22-17)12-15(14)7-8-20-19(21)13-24-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13H2,1H3,(H,20,21)
InChIKeyVBLOQHNPGCINEK-UHFFFAOYSA-N
XLogP2.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789865
2-(4-fluorophenoxy)-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]acetamide
CID 110783504
3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
CID 110789828
2-(4-fluorophenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789847
2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 7761229
1-cyano-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]formamide
CID 115172520
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenoxyethyl)acetamide
CID 26903201
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 110789876
methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate
CID 115190728
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide
CID 110778020

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide (CID 110789849) is N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide is Cc1cc2c(cc1CCNC(=O)COc1ccccc1)OCCO2.
What is the InChIKey of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is VBLOQHNPGCINEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14-11-17-18(23-10-9-22-17)12-15(14)7-8-20-19(21)13-24-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13H2,1H3,(H,20,21).
What are the key properties of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide?
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 327.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 110789849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).