N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide

C20H21N3O2 — CID 23731288

IUPACN,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
SMILESCNC(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)O2
InChIInChI=1S/C20H21N3O2/c1-12-13(2)23-11-16(20(24)21-3)15-9-10-17(14-7-5-4-6-8-14)25-18(15)19(23)22-12/h4-8,11,17H,9-10H2,1-3H3,(H,21,24)
InChIKeyAZGQONMMIOXCFS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.38
Rot. Bonds2

About N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide

N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide (PubChem CID 23731288) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide.

Molecular Properties

Compound NameN,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
PubChem CID23731288
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
SMILESCNC(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)O2
InChIInChI=1S/C20H21N3O2/c1-12-13(2)23-11-16(20(24)21-3)15-9-10-17(14-7-5-4-6-8-14)25-18(15)19(23)22-12/h4-8,11,17H,9-10H2,1-3H3,(H,21,24)
InChIKeyAZGQONMMIOXCFS-UHFFFAOYSA-N
XLogP3.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The IUPAC name of N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide (CID 23731288) is N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide.
What is the SMILES notation for N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The canonical SMILES for N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide is CNC(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)O2.
What is the InChIKey of N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The InChIKey is AZGQONMMIOXCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-13(2)23-11-16(20(24)21-3)15-9-10-17(14-7-5-4-6-8-14)25-18(15)19(23)22-12/h4-8,11,17H,9-10H2,1-3H3,(H,21,24).
What are the key properties of N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide is sourced from PubChem (CID 23731288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).