N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid

C19H27N3O7 — CID 652049

IUPACN-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid
SMILESO=C(CNCC1CCCO1)Nc1ccccc1N1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H25N3O3.C2H2O4/c21-17(13-18-12-14-4-3-9-23-14)19-15-5-1-2-6-16(15)20-7-10-22-11-8-20;3-1(4)2(5)6/h1-2,5-6,14,18H,3-4,7-13H2,(H,19,21);(H,3,4)(H,5,6)
InChIKeyGWDSBIBDKXSNGW-UHFFFAOYSA-N
MW409.44 g/mol
LogP0.39
Rot. Bonds6

About N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid

N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid (PubChem CID 652049) has the molecular formula C19H27N3O7 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid
PubChem CID652049
Molecular FormulaC19H27N3O7
Molecular Weight409.44 g/mol
Exact Mass409.18
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid
SMILESO=C(CNCC1CCCO1)Nc1ccccc1N1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H25N3O3.C2H2O4/c21-17(13-18-12-14-4-3-9-23-14)19-15-5-1-2-6-16(15)20-7-10-22-11-8-20;3-1(4)2(5)6/h1-2,5-6,14,18H,3-4,7-13H2,(H,19,21);(H,3,4)(H,5,6)
InChIKeyGWDSBIBDKXSNGW-UHFFFAOYSA-N
XLogP0.39
TPSA137.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 50.39
H-Bond Donors ≤ 54
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 N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid (CID 652049) is N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid is O=C(CNCC1CCCO1)Nc1ccccc1N1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid?
The InChIKey is GWDSBIBDKXSNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.C2H2O4/c21-17(13-18-12-14-4-3-9-23-14)19-15-5-1-2-6-16(15)20-7-10-22-11-8-20;3-1(4)2(5)6/h1-2,5-6,14,18H,3-4,7-13H2,(H,19,21);(H,3,4)(H,5,6).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid?
N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid has a molecular weight of 409.44 g/mol, XLogP of 0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;oxalic acid is sourced from PubChem (CID 652049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).