2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid

C19H30N4O6 — CID 11834453

IUPAC2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
SMILESCN(C)CCCNCC(=O)Nc1ccccc1N1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N4O2.C2H2O4/c1-20(2)9-5-8-18-14-17(22)19-15-6-3-4-7-16(15)21-10-12-23-13-11-21;3-1(4)2(5)6/h3-4,6-7,18H,5,8-14H2,1-2H3,(H,19,22);(H,3,4)(H,5,6)
InChIKeyDHIPDNDOKVPQCX-UHFFFAOYSA-N
MW410.47 g/mol
LogP0.16
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid

2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid (PubChem CID 11834453) has the molecular formula C19H30N4O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
PubChem CID11834453
Molecular FormulaC19H30N4O6
Molecular Weight410.47 g/mol
Exact Mass410.22
IUPAC Name2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
SMILESCN(C)CCCNCC(=O)Nc1ccccc1N1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N4O2.C2H2O4/c1-20(2)9-5-8-18-14-17(22)19-15-6-3-4-7-16(15)21-10-12-23-13-11-21;3-1(4)2(5)6/h3-4,6-7,18H,5,8-14H2,1-2H3,(H,19,22);(H,3,4)(H,5,6)
InChIKeyDHIPDNDOKVPQCX-UHFFFAOYSA-N
XLogP0.16
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid (CID 11834453) is 2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid is CN(C)CCCNCC(=O)Nc1ccccc1N1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The InChIKey is DHIPDNDOKVPQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.C2H2O4/c1-20(2)9-5-8-18-14-17(22)19-15-6-3-4-7-16(15)21-10-12-23-13-11-21;3-1(4)2(5)6/h3-4,6-7,18H,5,8-14H2,1-2H3,(H,19,22);(H,3,4)(H,5,6).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid has a molecular weight of 410.47 g/mol, XLogP of 0.16, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid is sourced from PubChem (CID 11834453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).