N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C23H22N2O5 — CID 55578633

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1cccnc1
InChIInChI=1S/C23H22N2O5/c1-2-27-21-12-17(5-7-20(21)30-15-16-4-3-9-24-14-16)23(26)25-18-6-8-19-22(13-18)29-11-10-28-19/h3-9,12-14H,2,10-11,15H2,1H3,(H,25,26)
InChIKeyMYSJSAGCIXZXSA-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.08
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55578633) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55578633
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1cccnc1
InChIInChI=1S/C23H22N2O5/c1-2-27-21-12-17(5-7-20(21)30-15-16-4-3-9-24-14-16)23(26)25-18-6-8-19-22(13-18)29-11-10-28-19/h3-9,12-14H,2,10-11,15H2,1H3,(H,25,26)
InChIKeyMYSJSAGCIXZXSA-UHFFFAOYSA-N
XLogP4.08
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838786
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46581715
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55575692
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187
3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39269336
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 55578633) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1cccnc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is MYSJSAGCIXZXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-2-27-21-12-17(5-7-20(21)30-15-16-4-3-9-24-14-16)23(26)25-18-6-8-19-22(13-18)29-11-10-28-19/h3-9,12-14H,2,10-11,15H2,1H3,(H,25,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 406.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55578633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).