3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid

C17H24N2O8 — CID 655249

IUPAC3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid
SMILESCOc1cc(OC)cc(C(=O)NCCN2CCOCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H22N2O4.C2H2O4/c1-19-13-9-12(10-14(11-13)20-2)15(18)16-3-4-17-5-7-21-8-6-17;3-1(4)2(5)6/h9-11H,3-8H2,1-2H3,(H,16,18);(H,3,4)(H,5,6)
InChIKeyHCFLUUDKPZEVDL-UHFFFAOYSA-N
MW384.39 g/mol
LogP-0.08
Rot. Bonds6

About 3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid

3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid (PubChem CID 655249) has the molecular formula C17H24N2O8 and a molecular weight of 384.39 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid
PubChem CID655249
Molecular FormulaC17H24N2O8
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid
SMILESCOc1cc(OC)cc(C(=O)NCCN2CCOCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H22N2O4.C2H2O4/c1-19-13-9-12(10-14(11-13)20-2)15(18)16-3-4-17-5-7-21-8-6-17;3-1(4)2(5)6/h9-11H,3-8H2,1-2H3,(H,16,18);(H,3,4)(H,5,6)
InChIKeyHCFLUUDKPZEVDL-UHFFFAOYSA-N
XLogP-0.08
TPSA134.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid?
The IUPAC name of 3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid (CID 655249) is 3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid.
What is the SMILES notation for 3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid?
The canonical SMILES for 3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid is COc1cc(OC)cc(C(=O)NCCN2CCOCC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid?
The InChIKey is HCFLUUDKPZEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4.C2H2O4/c1-19-13-9-12(10-14(11-13)20-2)15(18)16-3-4-17-5-7-21-8-6-17;3-1(4)2(5)6/h9-11H,3-8H2,1-2H3,(H,16,18);(H,3,4)(H,5,6).
What are the key properties of 3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid?
3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid has a molecular weight of 384.39 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide;oxalic acid is sourced from PubChem (CID 655249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).