N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid

C19H25N3O6 — CID 3236741

IUPACN-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid
SMILESO=C(CN1CCOCC1)Nc1c2c(nc3c1CCC3)CCC2.O=C(O)C(=O)O
InChIInChI=1S/C17H23N3O2.C2H2O4/c21-16(11-20-7-9-22-10-8-20)19-17-12-3-1-5-14(12)18-15-6-2-4-13(15)17;3-1(4)2(5)6/h1-11H2,(H,18,19,21);(H,3,4)(H,5,6)
InChIKeyUVIMNCNBGXYFOG-UHFFFAOYSA-N
MW391.42 g/mol
LogP0.49
Rot. Bonds3

About N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid

N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid (PubChem CID 3236741) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid.

Molecular Properties

Compound NameN-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid
PubChem CID3236741
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC NameN-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid
SMILESO=C(CN1CCOCC1)Nc1c2c(nc3c1CCC3)CCC2.O=C(O)C(=O)O
InChIInChI=1S/C17H23N3O2.C2H2O4/c21-16(11-20-7-9-22-10-8-20)19-17-12-3-1-5-14(12)18-15-6-2-4-13(15)17;3-1(4)2(5)6/h1-11H2,(H,18,19,21);(H,3,4)(H,5,6)
InChIKeyUVIMNCNBGXYFOG-UHFFFAOYSA-N
XLogP0.49
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid?
The IUPAC name of N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid (CID 3236741) is N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid.
What is the SMILES notation for N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid?
The canonical SMILES for N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid is O=C(CN1CCOCC1)Nc1c2c(nc3c1CCC3)CCC2.O=C(O)C(=O)O.
What is the InChIKey of N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid?
The InChIKey is UVIMNCNBGXYFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.C2H2O4/c21-16(11-20-7-9-22-10-8-20)19-17-12-3-1-5-14(12)18-15-6-2-4-13(15)17;3-1(4)2(5)6/h1-11H2,(H,18,19,21);(H,3,4)(H,5,6).
What are the key properties of N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid?
N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid has a molecular weight of 391.42 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid is sourced from PubChem (CID 3236741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).