N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide

C19H20N2O2 — CID 59179395

IUPACN-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide
SMILESO=C(NCCC1CCc2cnc3c(c21)CCO3)c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-18(14-4-2-1-3-5-14)20-10-8-13-6-7-15-12-21-19-16(17(13)15)9-11-23-19/h1-5,12-13H,6-11H2,(H,20,22)
InChIKeyLRRPWUAEKCGVOM-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide

N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide (PubChem CID 59179395) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide
PubChem CID59179395
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide
SMILESO=C(NCCC1CCc2cnc3c(c21)CCO3)c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-18(14-4-2-1-3-5-14)20-10-8-13-6-7-15-12-21-19-16(17(13)15)9-11-23-19/h1-5,12-13H,6-11H2,(H,20,22)
InChIKeyLRRPWUAEKCGVOM-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide?
The IUPAC name of N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide (CID 59179395) is N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide is O=C(NCCC1CCc2cnc3c(c21)CCO3)c1ccccc1.
What is the InChIKey of N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide?
The InChIKey is LRRPWUAEKCGVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(14-4-2-1-3-5-14)20-10-8-13-6-7-15-12-21-19-16(17(13)15)9-11-23-19/h1-5,12-13H,6-11H2,(H,20,22).
What are the key properties of N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide?
N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide is sourced from PubChem (CID 59179395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).