N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide

C17H23NO3 — CID 78800834

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)CC1CCCCC1
InChIInChI=1S/C17H23NO3/c1-18(17(19)10-13-5-3-2-4-6-13)11-14-7-8-15-16(9-14)21-12-20-15/h7-9,13H,2-6,10-12H2,1H3
InChIKeyKTXWOIAWILFERB-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.34
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide (PubChem CID 78800834) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
PubChem CID78800834
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)CC1CCCCC1
InChIInChI=1S/C17H23NO3/c1-18(17(19)10-13-5-3-2-4-6-13)11-14-7-8-15-16(9-14)21-12-20-15/h7-9,13H,2-6,10-12H2,1H3
InChIKeyKTXWOIAWILFERB-UHFFFAOYSA-N
XLogP3.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119690320
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60685568
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylacetamide
CID 51190190
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 16614852
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide
CID 60656747
1,3-benzodioxol-5-ylmethyl 2-cyclopentylacetate
CID 55313867
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78915097

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide (CID 78800834) is N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide is CN(Cc1ccc2c(c1)OCO2)C(=O)CC1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide?
The InChIKey is KTXWOIAWILFERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18(17(19)10-13-5-3-2-4-6-13)11-14-7-8-15-16(9-14)21-12-20-15/h7-9,13H,2-6,10-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide has a molecular weight of 289.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 78800834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).