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

C22H25NO4 — CID 110344639

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide
SMILESCCN(C(=O)CCCC(=O)c1ccc2c(c1)OCCO2)c1cccc(C)c1
InChIInChI=1S/C22H25NO4/c1-3-23(18-7-4-6-16(2)14-18)22(25)9-5-8-19(24)17-10-11-20-21(15-17)27-13-12-26-20/h4,6-7,10-11,14-15H,3,5,8-9,12-13H2,1-2H3
InChIKeyKWYLTSUGSIKTNR-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.17
Rot. Bonds7

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

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide (PubChem CID 110344639) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide
PubChem CID110344639
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide
SMILESCCN(C(=O)CCCC(=O)c1ccc2c(c1)OCCO2)c1cccc(C)c1
InChIInChI=1S/C22H25NO4/c1-3-23(18-7-4-6-16(2)14-18)22(25)9-5-8-19(24)17-10-11-20-21(15-17)27-13-12-26-20/h4,6-7,10-11,14-15H,3,5,8-9,12-13H2,1-2H3
InChIKeyKWYLTSUGSIKTNR-UHFFFAOYSA-N
XLogP4.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113133094
N-ethyl-5-(4-methoxyphenyl)-N-(3-methylphenyl)-5-oxopentanamide
CID 110298284
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione
CID 90354493
N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295025
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide
CID 110344578
N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 113002162
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(dimethylamino)butan-1-one
CID 12538037
1-(4-acetylpiperazin-1-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pentane-1,5-dione
CID 110344524
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
7-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)heptan-1-one
CID 116551530
ethyl 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopentanoyl]amino]benzoate
CID 110344635

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide (CID 110344639) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide is CCN(C(=O)CCCC(=O)c1ccc2c(c1)OCCO2)c1cccc(C)c1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide?
The InChIKey is KWYLTSUGSIKTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-23(18-7-4-6-16(2)14-18)22(25)9-5-8-19(24)17-10-11-20-21(15-17)27-13-12-26-20/h4,6-7,10-11,14-15H,3,5,8-9,12-13H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide has a molecular weight of 367.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 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-ethyl-N-(3-methylphenyl)-5-oxopentanamide is sourced from PubChem (CID 110344639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).