2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide

C17H22N2O4 — CID 51271886

IUPAC2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide
SMILESCC(=O)NC(C(=O)NCc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C17H22N2O4/c1-11(20)19-16(13-4-2-3-5-13)17(21)18-9-12-6-7-14-15(8-12)23-10-22-14/h6-8,13,16H,2-5,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeySPLQWZZWXJRFNJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.73
Rot. Bonds5

About 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide

2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide (PubChem CID 51271886) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide.

Molecular Properties

Compound Name2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide
PubChem CID51271886
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide
SMILESCC(=O)NC(C(=O)NCc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C17H22N2O4/c1-11(20)19-16(13-4-2-3-5-13)17(21)18-9-12-6-7-14-15(8-12)23-10-22-14/h6-8,13,16H,2-5,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeySPLQWZZWXJRFNJ-UHFFFAOYSA-N
XLogP1.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloropropanamide
CID 2435381
2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 116677298
2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 51123302
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79202322
N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 24637396
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 42842561
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958888
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(carbamoylamino)-3-methylbutanamide
CID 7872524
N-(1,3-benzodioxol-5-ylmethyl)-2-(carbamoylamino)-3-methylbutanamide
CID 4783480
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
CID 43767433
(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 95135179

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide?
The IUPAC name of 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide (CID 51271886) is 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide.
What is the SMILES notation for 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide?
The canonical SMILES for 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide is CC(=O)NC(C(=O)NCc1ccc2c(c1)OCO2)C1CCCC1.
What is the InChIKey of 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide?
The InChIKey is SPLQWZZWXJRFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(20)19-16(13-4-2-3-5-13)17(21)18-9-12-6-7-14-15(8-12)23-10-22-14/h6-8,13,16H,2-5,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide?
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide has a molecular weight of 318.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide is sourced from PubChem (CID 51271886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).