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

C20H22N2O3 — CID 2998121

IUPACN-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(c1ccc2c(c1)OCCO2)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C20H22N2O3/c23-20(15-9-10-17-18(14-15)25-13-12-24-17)22(16-6-2-1-3-7-16)19-8-4-5-11-21-19/h4-5,8-11,14,16H,1-3,6-7,12-13H2
InChIKeyROXYNYRHUPSQCZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.83
Rot. Bonds3

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

N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 2998121) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID2998121
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(c1ccc2c(c1)OCCO2)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C20H22N2O3/c23-20(15-9-10-17-18(14-15)25-13-12-24-17)22(16-6-2-1-3-7-16)19-8-4-5-11-21-19/h4-5,8-11,14,16H,1-3,6-7,12-13H2
InChIKeyROXYNYRHUPSQCZ-UHFFFAOYSA-N
XLogP3.83
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 2998121) is N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(c1ccc2c(c1)OCCO2)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is ROXYNYRHUPSQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(15-9-10-17-18(14-15)25-13-12-24-17)22(16-6-2-1-3-7-16)19-8-4-5-11-21-19/h4-5,8-11,14,16H,1-3,6-7,12-13H2.
What are the key properties of N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 2998121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).