N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide

C21H25N3O4 — CID 648870

IUPACN-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
SMILESO=C(NCCCN1CCOCC1)C(C(=O)c1ccccc1)n1ccccc1=O
InChIInChI=1S/C21H25N3O4/c25-18-9-4-5-12-24(18)19(20(26)17-7-2-1-3-8-17)21(27)22-10-6-11-23-13-15-28-16-14-23/h1-5,7-9,12,19H,6,10-11,13-16H2,(H,22,27)
InChIKeyTXYILHDEICKJMM-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.11
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide

N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide (PubChem CID 648870) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
PubChem CID648870
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
SMILESO=C(NCCCN1CCOCC1)C(C(=O)c1ccccc1)n1ccccc1=O
InChIInChI=1S/C21H25N3O4/c25-18-9-4-5-12-24(18)19(20(26)17-7-2-1-3-8-17)21(27)22-10-6-11-23-13-15-28-16-14-23/h1-5,7-9,12,19H,6,10-11,13-16H2,(H,22,27)
InChIKeyTXYILHDEICKJMM-UHFFFAOYSA-N
XLogP1.11
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide (CID 648870) is N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide is O=C(NCCCN1CCOCC1)C(C(=O)c1ccccc1)n1ccccc1=O.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The InChIKey is TXYILHDEICKJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-18-9-4-5-12-24(18)19(20(26)17-7-2-1-3-8-17)21(27)22-10-6-11-23-13-15-28-16-14-23/h1-5,7-9,12,19H,6,10-11,13-16H2,(H,22,27).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide has a molecular weight of 383.45 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 648870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).