2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide

C17H24N2O4 — CID 167812638

IUPAC2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
SMILESCN(C(=O)COC1CCC(N)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O4/c1-19(13-4-7-15-16(10-13)22-9-8-21-15)17(20)11-23-14-5-2-12(18)3-6-14/h4,7,10,12,14H,2-3,5-6,8-9,11,18H2,1H3
InChIKeyKUWDLEIJNPIELC-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.71
Rot. Bonds4

About 2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide

2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide (PubChem CID 167812638) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
PubChem CID167812638
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
SMILESCN(C(=O)COC1CCC(N)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O4/c1-19(13-4-7-15-16(10-13)22-9-8-21-15)17(20)11-23-14-5-2-12(18)3-6-14/h4,7,10,12,14H,2-3,5-6,8-9,11,18H2,1H3
InChIKeyKUWDLEIJNPIELC-UHFFFAOYSA-N
XLogP1.71
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide
CID 115161388
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylacetamide
CID 82496768
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
CID 115191645
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-2-sulfanylacetamide
CID 115167016
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenylpropanamide
CID 110752814
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115257264
N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine
CID 163777810
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 110752841
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
CID 69228367

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
The IUPAC name of 2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide (CID 167812638) is 2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide is CN(C(=O)COC1CCC(N)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
The InChIKey is KUWDLEIJNPIELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-19(13-4-7-15-16(10-13)22-9-8-21-15)17(20)11-23-14-5-2-12(18)3-6-14/h4,7,10,12,14H,2-3,5-6,8-9,11,18H2,1H3.
What are the key properties of 2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide has a molecular weight of 320.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide is sourced from PubChem (CID 167812638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).