4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide

C18H22N4O3 — CID 56765965

IUPAC4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H22N4O3/c23-17-13-25-12-16(22(17)11-15-5-2-1-3-6-15)18(24)20-7-4-9-21-10-8-19-14-21/h1-3,5-6,8,10,14,16H,4,7,9,11-13H2,(H,20,24)
InChIKeyGBPFYIHZRURPBU-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.82
Rot. Bonds7

About 4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide

4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide (PubChem CID 56765965) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide
PubChem CID56765965
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H22N4O3/c23-17-13-25-12-16(22(17)11-15-5-2-1-3-6-15)18(24)20-7-4-9-21-10-8-19-14-21/h1-3,5-6,8,10,14,16H,4,7,9,11-13H2,(H,20,24)
InChIKeyGBPFYIHZRURPBU-UHFFFAOYSA-N
XLogP0.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide (CID 56765965) is 4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide is O=C(NCCCn1ccnc1)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is GBPFYIHZRURPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17-13-25-12-16(22(17)11-15-5-2-1-3-6-15)18(24)20-7-4-9-21-10-8-19-14-21/h1-3,5-6,8,10,14,16H,4,7,9,11-13H2,(H,20,24).
What are the key properties of 4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide?
4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-imidazol-1-ylpropyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 56765965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).