N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide

C17H17NO6 — CID 112978494

IUPACN-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc3c(c2)OCO3)c1OC
InChIInChI=1S/C17H17NO6/c1-20-13-4-3-5-14(17(13)21-2)22-9-16(19)18-11-6-7-12-15(8-11)24-10-23-12/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyKWUKNRWNKKHGNX-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.45
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide (PubChem CID 112978494) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
PubChem CID112978494
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc3c(c2)OCO3)c1OC
InChIInChI=1S/C17H17NO6/c1-20-13-4-3-5-14(17(13)21-2)22-9-16(19)18-11-6-7-12-15(8-11)24-10-23-12/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyKWUKNRWNKKHGNX-UHFFFAOYSA-N
XLogP2.45
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethoxyphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 112978425
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalen-1-yloxyacetamide
CID 7860156
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 2593350
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975574
N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide
CID 8932851
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541655
N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 7916017
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8012995
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide (CID 112978494) is N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2ccc3c(c2)OCO3)c1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide?
The InChIKey is KWUKNRWNKKHGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-20-13-4-3-5-14(17(13)21-2)22-9-16(19)18-11-6-7-12-15(8-11)24-10-23-12/h3-8H,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide has a molecular weight of 331.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 112978494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).