N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H19NO3 — CID 788868

IUPACN-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H19NO3/c17-15(16-12-4-2-1-3-5-12)11-6-7-13-14(10-11)19-9-8-18-13/h6-7,10,12H,1-5,8-9H2,(H,16,17)
InChIKeyFCVJHTDBKGWGBI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.52
Rot. Bonds2

About N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 788868) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID788868
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H19NO3/c17-15(16-12-4-2-1-3-5-12)11-6-7-13-14(10-11)19-9-8-18-13/h6-7,10,12H,1-5,8-9H2,(H,16,17)
InChIKeyFCVJHTDBKGWGBI-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 788868) is N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(NC1CCCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is FCVJHTDBKGWGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(16-12-4-2-1-3-5-12)11-6-7-13-14(10-11)19-9-8-18-13/h6-7,10,12H,1-5,8-9H2,(H,16,17).
What are the key properties of N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 788868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).