N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide

C20H29NO3 — CID 52794924

IUPACN-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCCCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H29NO3/c1-20(2,15-10-11-17-18(14-15)24-13-12-23-17)19(22)21-16-8-6-4-3-5-7-9-16/h10-11,14,16H,3-9,12-13H2,1-2H3,(H,21,22)
InChIKeyICWHNUVJGZHKBR-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.96
Rot. Bonds3

About N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide

N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide (PubChem CID 52794924) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
PubChem CID52794924
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC NameN-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCCCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H29NO3/c1-20(2,15-10-11-17-18(14-15)24-13-12-23-17)19(22)21-16-8-6-4-3-5-7-9-16/h10-11,14,16H,3-9,12-13H2,1-2H3,(H,21,22)
InChIKeyICWHNUVJGZHKBR-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide
CID 129403449
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120574644
2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 60998760
N-cyclopentyl-2-methyl-2-(4-methylphenyl)propanamide
CID 113198015
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
2-(4-chlorophenyl)-N-cyclopentyl-2-methylpropanamide
CID 47300023
N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 99809011
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)-2-methylpropanamide
CID 113197945
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109048581
N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 113197955

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The IUPAC name of N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide (CID 52794924) is N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The canonical SMILES for N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide is CC(C)(C(=O)NC1CCCCCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The InChIKey is ICWHNUVJGZHKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-20(2,15-10-11-17-18(14-15)24-13-12-23-17)19(22)21-16-8-6-4-3-5-7-9-16/h10-11,14,16H,3-9,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide is sourced from PubChem (CID 52794924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).