N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide

C18H19NO4 — CID 3131753

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2COc3ccccc3O2)cc1
InChIInChI=1S/C18H19NO4/c1-2-21-14-9-7-13(8-10-14)18(20)19-11-15-12-22-16-5-3-4-6-17(16)23-15/h3-10,15H,2,11-12H2,1H3,(H,19,20)
InChIKeyLLKMPSBGDYSRCI-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.66
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide (PubChem CID 3131753) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
PubChem CID3131753
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2COc3ccccc3O2)cc1
InChIInChI=1S/C18H19NO4/c1-2-21-14-9-7-13(8-10-14)18(20)19-11-15-12-22-16-5-3-4-6-17(16)23-15/h3-10,15H,2,11-12H2,1H3,(H,19,20)
InChIKeyLLKMPSBGDYSRCI-UHFFFAOYSA-N
XLogP2.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-diethoxybenzamide
CID 8872749
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5-triethoxybenzamide
CID 7924872
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86937944
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 38211752
3-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethoxybenzamide
CID 100583600
4-cyano-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 42994565
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 845157
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(ethylsulfonylamino)benzamide
CID 100577677
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 24536975
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 100576926

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide (CID 3131753) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC2COc3ccccc3O2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide?
The InChIKey is LLKMPSBGDYSRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-21-14-9-7-13(8-10-14)18(20)19-11-15-12-22-16-5-3-4-6-17(16)23-15/h3-10,15H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide has a molecular weight of 313.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide is sourced from PubChem (CID 3131753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).