N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C20H23NO6 — CID 5169713

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC2COc3ccccc3O2)cc(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-23-17-8-13(9-18(24-2)20(17)25-3)10-19(22)21-11-14-12-26-15-6-4-5-7-16(15)27-14/h4-9,14H,10-12H2,1-3H3,(H,21,22)
InChIKeyQKDHBAXGEUWCAE-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.21
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 5169713) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID5169713
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC2COc3ccccc3O2)cc(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-23-17-8-13(9-18(24-2)20(17)25-3)10-19(22)21-11-14-12-26-15-6-4-5-7-16(15)27-14/h4-9,14H,10-12H2,1-3H3,(H,21,22)
InChIKeyQKDHBAXGEUWCAE-UHFFFAOYSA-N
XLogP2.21
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 5169713) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCC2COc3ccccc3O2)cc(OC)c1OC.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is QKDHBAXGEUWCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-23-17-8-13(9-18(24-2)20(17)25-3)10-19(22)21-11-14-12-26-15-6-4-5-7-16(15)27-14/h4-9,14H,10-12H2,1-3H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 2.21, 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-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 5169713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).