N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C19H23NO4 — CID 2928645

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccc4c(c3)OCCO4)(CC1=O)C2(C)C
InChIInChI=1S/C19H23NO4/c1-17(2)18(3)6-7-19(17,11-15(18)21)16(22)20-12-4-5-13-14(10-12)24-9-8-23-13/h4-5,10H,6-9,11H2,1-3H3,(H,20,22)
InChIKeyWDVILNUXXDLABJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.18
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2928645) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2928645
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccc4c(c3)OCCO4)(CC1=O)C2(C)C
InChIInChI=1S/C19H23NO4/c1-17(2)18(3)6-7-19(17,11-15(18)21)16(22)20-12-4-5-13-14(10-12)24-9-8-23-13/h4-5,10H,6-9,11H2,1-3H3,(H,20,22)
InChIKeyWDVILNUXXDLABJ-UHFFFAOYSA-N
XLogP3.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2928645) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)Nc3ccc4c(c3)OCCO4)(CC1=O)C2(C)C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is WDVILNUXXDLABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-17(2)18(3)6-7-19(17,11-15(18)21)16(22)20-12-4-5-13-14(10-12)24-9-8-23-13/h4-5,10H,6-9,11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2928645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).