2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide

C24H26N2O3 — CID 26517307

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CN(C)Cc1ccc2c(c1)OCCO2)c1cccc2ccccc12
InChIInChI=1S/C24H26N2O3/c1-3-26(21-10-6-8-19-7-4-5-9-20(19)21)24(27)17-25(2)16-18-11-12-22-23(15-18)29-14-13-28-22/h4-12,15H,3,13-14,16-17H2,1-2H3
InChIKeySNSRSBOLRNWNLB-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.10
Rot. Bonds6

About 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide

2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide (PubChem CID 26517307) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide
PubChem CID26517307
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CN(C)Cc1ccc2c(c1)OCCO2)c1cccc2ccccc12
InChIInChI=1S/C24H26N2O3/c1-3-26(21-10-6-8-19-7-4-5-9-20(19)21)24(27)17-25(2)16-18-11-12-22-23(15-18)29-14-13-28-22/h4-12,15H,3,13-14,16-17H2,1-2H3
InChIKeySNSRSBOLRNWNLB-UHFFFAOYSA-N
XLogP4.10
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
CID 115257414
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 55409833
methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
CID 115232427
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 9261592
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 26547868
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 17400891
N-ethyl-2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 110881176
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
CID 4235872
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 31379931
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-naphthalen-2-yloxyacetamide
CID 26072019

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide (CID 26517307) is 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide is CCN(C(=O)CN(C)Cc1ccc2c(c1)OCCO2)c1cccc2ccccc12.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide?
The InChIKey is SNSRSBOLRNWNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-26(21-10-6-8-19-7-4-5-9-20(19)21)24(27)17-25(2)16-18-11-12-22-23(15-18)29-14-13-28-22/h4-12,15H,3,13-14,16-17H2,1-2H3.
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide?
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide has a molecular weight of 390.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 26517307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).