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

C13H17NO3 — CID 2789424

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H17NO3/c1-2-3-4-13(15)14-10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyWZFDPEKYVKCKHJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.59
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide (PubChem CID 2789424) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
PubChem CID2789424
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H17NO3/c1-2-3-4-13(15)14-10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyWZFDPEKYVKCKHJ-UHFFFAOYSA-N
XLogP2.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diethofencarb
CID 91742
Amg-9810
CID 680502
3'-Ethoxyacetanilide
CID 11570
N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
1,4-Benzodioxan-6-ylamine
CID 89148
N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
N-(3-methoxyphenyl)pivalamide
CID 546358
Acetamide, N-(4-butoxyphenyl)-
CID 90165
[4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate
CID 70696645
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide (CID 2789424) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide is CCCCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide?
The InChIKey is WZFDPEKYVKCKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-3-4-13(15)14-10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide has a molecular weight of 235.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide is sourced from PubChem (CID 2789424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).