5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide

C20H21NO4 — CID 110344578

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide
SMILESCc1cccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H21NO4/c1-14-4-2-5-16(12-14)21-20(23)7-3-6-17(22)15-8-9-18-19(13-15)25-11-10-24-18/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,21,23)
InChIKeyTYFRJXMFOKNYSU-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.76
Rot. Bonds6

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide (PubChem CID 110344578) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide
PubChem CID110344578
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide
SMILESCc1cccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H21NO4/c1-14-4-2-5-16(12-14)21-20(23)7-3-6-17(22)15-8-9-18-19(13-15)25-11-10-24-18/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,21,23)
InChIKeyTYFRJXMFOKNYSU-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione
CID 90354493
N-(4-chloro-2-methylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopentanamide
CID 110344599
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
CID 37467922
[2-(3-methylanilino)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 29481614
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide
CID 110344639
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29198112
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide
CID 51276703
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 51193915
ethyl 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopentanoyl]amino]benzoate
CID 110344635
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110426277
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide (CID 110344578) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide is Cc1cccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide?
The InChIKey is TYFRJXMFOKNYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14-4-2-5-16(12-14)21-20(23)7-3-6-17(22)15-8-9-18-19(13-15)25-11-10-24-18/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,21,23).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide has a molecular weight of 339.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide is sourced from PubChem (CID 110344578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).