2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide

C17H17NO3 — CID 18190703

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-18(14-5-3-2-4-6-14)17(19)12-13-7-8-15-16(11-13)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3
InChIKeyWBJYBWKZRZRLSU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.66
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide (PubChem CID 18190703) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
PubChem CID18190703
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-18(14-5-3-2-4-6-14)17(19)12-13-7-8-15-16(11-13)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3
InChIKeyWBJYBWKZRZRLSU-UHFFFAOYSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-methylamino]acetic acid
CID 82486581
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-1-phenylurea
CID 113217470
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752851
N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770440
N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770301
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenylpropanamide
CID 110752814
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-phenylpropanamide
CID 43000811
2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid
CID 119196809
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
CID 17310206
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 31950054

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide (CID 18190703) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide is CN(C(=O)Cc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide?
The InChIKey is WBJYBWKZRZRLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(14-5-3-2-4-6-14)17(19)12-13-7-8-15-16(11-13)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide has a molecular weight of 283.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 18190703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).