N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide

C15H19N3O2 — CID 53310839

IUPACN-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3
InChIInChI=1S/C15H19N3O2/c1-3-14(19)16-7-4-11-10(2)17-18-8-5-13-12(15(11)18)6-9-20-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)
InChIKeyGIJVMVBEOMPBKW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.65
Rot. Bonds4

About N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide

N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide (PubChem CID 53310839) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide
PubChem CID53310839
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3
InChIInChI=1S/C15H19N3O2/c1-3-14(19)16-7-4-11-10(2)17-18-8-5-13-12(15(11)18)6-9-20-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)
InChIKeyGIJVMVBEOMPBKW-UHFFFAOYSA-N
XLogP1.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide (CID 53310839) is N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide is CCC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3.
What is the InChIKey of N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide?
The InChIKey is GIJVMVBEOMPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-14(19)16-7-4-11-10(2)17-18-8-5-13-12(15(11)18)6-9-20-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide?
N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide is sourced from PubChem (CID 53310839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).