N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide

C17H23NO3 — CID 2918848

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H23NO3/c1-12(18-17(19)13-5-3-2-4-6-13)14-7-8-15-16(11-14)21-10-9-20-15/h7-8,11-13H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyIZKTYTCJUNZBFM-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.22
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide (PubChem CID 2918848) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide
PubChem CID2918848
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H23NO3/c1-12(18-17(19)13-5-3-2-4-6-13)14-7-8-15-16(11-14)21-10-9-20-15/h7-8,11-13H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyIZKTYTCJUNZBFM-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide (CID 2918848) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is IZKTYTCJUNZBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(18-17(19)13-5-3-2-4-6-13)14-7-8-15-16(11-14)21-10-9-20-15/h7-8,11-13H,2-6,9-10H2,1H3,(H,18,19).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2918848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).