2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid

C19H29N3O7 — CID 645221

IUPAC2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
SMILESCCOCCCNCC(=O)Nc1ccccc1N1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H27N3O3.C2H2O4/c1-2-22-11-5-8-18-14-17(21)19-15-6-3-4-7-16(15)20-9-12-23-13-10-20;3-1(4)2(5)6/h3-4,6-7,18H,2,5,8-14H2,1H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyHVRZQKLKFHIZNT-UHFFFAOYSA-N
MW411.46 g/mol
LogP0.63
Rot. Bonds9

About 2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid

2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid (PubChem CID 645221) has the molecular formula C19H29N3O7 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
PubChem CID645221
Molecular FormulaC19H29N3O7
Molecular Weight411.46 g/mol
Exact Mass411.20
IUPAC Name2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
SMILESCCOCCCNCC(=O)Nc1ccccc1N1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H27N3O3.C2H2O4/c1-2-22-11-5-8-18-14-17(21)19-15-6-3-4-7-16(15)20-9-12-23-13-10-20;3-1(4)2(5)6/h3-4,6-7,18H,2,5,8-14H2,1H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyHVRZQKLKFHIZNT-UHFFFAOYSA-N
XLogP0.63
TPSA137.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 50.63
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-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The IUPAC name of 2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid (CID 645221) is 2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid.
What is the SMILES notation for 2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The canonical SMILES for 2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid is CCOCCCNCC(=O)Nc1ccccc1N1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of 2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The InChIKey is HVRZQKLKFHIZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.C2H2O4/c1-2-22-11-5-8-18-14-17(21)19-15-6-3-4-7-16(15)20-9-12-23-13-10-20;3-1(4)2(5)6/h3-4,6-7,18H,2,5,8-14H2,1H3,(H,19,21);(H,3,4)(H,5,6).
What are the key properties of 2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid has a molecular weight of 411.46 g/mol, XLogP of 0.63, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid is sourced from PubChem (CID 645221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).