N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide

C23H21NO5 — CID 9009854

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C23H21NO5/c1-2-24(12-16-7-9-21-22(11-16)29-15-28-21)23(26)14-27-20-10-8-17-5-3-4-6-18(17)19(20)13-25/h3-11,13H,2,12,14-15H2,1H3
InChIKeyGFJQRODOTWIMMH-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.81
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide (PubChem CID 9009854) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide
PubChem CID9009854
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C23H21NO5/c1-2-24(12-16-7-9-21-22(11-16)29-15-28-21)23(26)14-27-20-10-8-17-5-3-4-6-18(17)19(20)13-25/h3-11,13H,2,12,14-15H2,1H3
InChIKeyGFJQRODOTWIMMH-UHFFFAOYSA-N
XLogP3.81
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197667
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 8566461
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
2-(1-formylnaphthalen-2-yl)oxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 9009870
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide
CID 28913283
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199745
[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847613
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9202279

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide (CID 9009854) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc2ccccc2c1C=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The InChIKey is GFJQRODOTWIMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-2-24(12-16-7-9-21-22(11-16)29-15-28-21)23(26)14-27-20-10-8-17-5-3-4-6-18(17)19(20)13-25/h3-11,13H,2,12,14-15H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide has a molecular weight of 391.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(1-formylnaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 9009854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).