2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide

C23H28N2O3 — CID 8748303

IUPAC2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide
SMILESCN(CC(=O)N(c1ccccc1)C1CCCCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H28N2O3/c1-24(15-18-12-13-21-22(14-18)28-17-27-21)16-23(26)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-14,20H,3,6-7,10-11,15-17H2,1H3
InChIKeyZNKDSYMLTWCWFI-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.21
Rot. Bonds6

About 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide (PubChem CID 8748303) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide
PubChem CID8748303
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide
SMILESCN(CC(=O)N(c1ccccc1)C1CCCCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H28N2O3/c1-24(15-18-12-13-21-22(14-18)28-17-27-21)16-23(26)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-14,20H,3,6-7,10-11,15-17H2,1H3
InChIKeyZNKDSYMLTWCWFI-UHFFFAOYSA-N
XLogP4.21
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 26547868
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide
CID 8746784
N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride
CID 165365092
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide
CID 8748179
N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
CID 135718611
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 30934258

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide (CID 8748303) is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide is CN(CC(=O)N(c1ccccc1)C1CCCCC1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide?
The InChIKey is ZNKDSYMLTWCWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-24(15-18-12-13-21-22(14-18)28-17-27-21)16-23(26)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-14,20H,3,6-7,10-11,15-17H2,1H3.
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide?
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide has a molecular weight of 380.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide is sourced from PubChem (CID 8748303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).