N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide

C19H21NO7 — CID 55747447

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCOc2ccc3c(c2)OCO3)c(OC)c1OC
InChIInChI=1S/C19H21NO7/c1-22-15-7-5-13(17(23-2)18(15)24-3)19(21)20-8-9-25-12-4-6-14-16(10-12)27-11-26-14/h4-7,10H,8-9,11H2,1-3H3,(H,20,21)
InChIKeyBRNHXRAFDAMLKY-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.25
Rot. Bonds8

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide (PubChem CID 55747447) has the molecular formula C19H21NO7 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide
PubChem CID55747447
Molecular FormulaC19H21NO7
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCOc2ccc3c(c2)OCO3)c(OC)c1OC
InChIInChI=1S/C19H21NO7/c1-22-15-7-5-13(17(23-2)18(15)24-3)19(21)20-8-9-25-12-4-6-14-16(10-12)27-11-26-14/h4-7,10H,8-9,11H2,1-3H3,(H,20,21)
InChIKeyBRNHXRAFDAMLKY-UHFFFAOYSA-N
XLogP2.25
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide
CID 30350403
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(3-chloro-4-methoxyphenyl)urea
CID 112975182
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
N-[2-(3,4-dimethylphenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812660
N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113099800
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377493
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2335947
1-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 10110663
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735550
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-chloro-6-fluorobenzamide
CID 30350377
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 30350371

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide (CID 55747447) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NCCOc2ccc3c(c2)OCO3)c(OC)c1OC.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide?
The InChIKey is BRNHXRAFDAMLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7/c1-22-15-7-5-13(17(23-2)18(15)24-3)19(21)20-8-9-25-12-4-6-14-16(10-12)27-11-26-14/h4-7,10H,8-9,11H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide has a molecular weight of 375.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 55747447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).