3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C21H26N2O3 — CID 109037137

IUPAC3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H26N2O3/c1-3-15-6-5-7-16(4-2)21(15)22-11-10-20(24)23-17-8-9-18-19(14-17)26-13-12-25-18/h5-9,14,22H,3-4,10-13H2,1-2H3,(H,23,24)
InChIKeyVWYNFEVEISMRCS-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.02
Rot. Bonds7

About 3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 109037137) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID109037137
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H26N2O3/c1-3-15-6-5-7-16(4-2)21(15)22-11-10-20(24)23-17-8-9-18-19(14-17)26-13-12-25-18/h5-9,14,22H,3-4,10-13H2,1-2H3,(H,23,24)
InChIKeyVWYNFEVEISMRCS-UHFFFAOYSA-N
XLogP4.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylanilino)propanamide
CID 109036236
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide
CID 109042278
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methylphenyl)propanamide
CID 109034407
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide
CID 86930980
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504
N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)propanamide
CID 109035569
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109037184

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 109037137) is 3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CCc1cccc(CC)c1NCCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is VWYNFEVEISMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-15-6-5-7-16(4-2)21(15)22-11-10-20(24)23-17-8-9-18-19(14-17)26-13-12-25-18/h5-9,14,22H,3-4,10-13H2,1-2H3,(H,23,24).
What are the key properties of 3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 109037137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).