N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide

C16H23N3O3 — CID 2291099

IUPACN'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCc1ccccc1
InChIInChI=1S/C16H23N3O3/c20-15(16(21)18-13-14-5-2-1-3-6-14)17-7-4-8-19-9-11-22-12-10-19/h1-3,5-6H,4,7-13H2,(H,17,20)(H,18,21)
InChIKeyVMMHEXGRNMUJFM-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.14
Rot. Bonds6

About N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide

N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 2291099) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID2291099
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCc1ccccc1
InChIInChI=1S/C16H23N3O3/c20-15(16(21)18-13-14-5-2-1-3-6-14)17-7-4-8-19-9-11-22-12-10-19/h1-3,5-6H,4,7-13H2,(H,17,20)(H,18,21)
InChIKeyVMMHEXGRNMUJFM-UHFFFAOYSA-N
XLogP0.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide (CID 2291099) is N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is VMMHEXGRNMUJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15(16(21)18-13-14-5-2-1-3-6-14)17-7-4-8-19-9-11-22-12-10-19/h1-3,5-6H,4,7-13H2,(H,17,20)(H,18,21).
What are the key properties of N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide?
N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 305.38 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 2291099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).