N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C13H15NO3 — CID 17392024

IUPACN-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)NC1CC1
InChIInChI=1S/C13H15NO3/c15-13(14-10-2-3-10)8-9-1-4-11-12(7-9)17-6-5-16-11/h1,4,7,10H,2-3,5-6,8H2,(H,14,15)
InChIKeyHEGYRBGULLWJOB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.28
Rot. Bonds3

About N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 17392024) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID17392024
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)NC1CC1
InChIInChI=1S/C13H15NO3/c15-13(14-10-2-3-10)8-9-1-4-11-12(7-9)17-6-5-16-11/h1,4,7,10H,2-3,5-6,8H2,(H,14,15)
InChIKeyHEGYRBGULLWJOB-UHFFFAOYSA-N
XLogP1.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43051431
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 61249787
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynylacetamide
CID 18109939
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxypropyl)acetamide
CID 92670427
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-cyclopropylacetamide
CID 113151341
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-cyclohexylacetamide
CID 17405781
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-2-methylpropanoic acid
CID 75417912

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 17392024) is N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cc1ccc2c(c1)OCCO2)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is HEGYRBGULLWJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13(14-10-2-3-10)8-9-1-4-11-12(7-9)17-6-5-16-11/h1,4,7,10H,2-3,5-6,8H2,(H,14,15).
What are the key properties of N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 233.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 17392024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).