4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide

C17H20N4O3 — CID 71877952

IUPAC4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide
SMILESO=C(NCCn1ccnc1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H20N4O3/c22-16-12-24-11-15(21(16)10-14-4-2-1-3-5-14)17(23)19-7-9-20-8-6-18-13-20/h1-6,8,13,15H,7,9-12H2,(H,19,23)
InChIKeyFIWWJZLAOYASDU-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.43
Rot. Bonds6

About 4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide

4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide (PubChem CID 71877952) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide
PubChem CID71877952
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide
SMILESO=C(NCCn1ccnc1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H20N4O3/c22-16-12-24-11-15(21(16)10-14-4-2-1-3-5-14)17(23)19-7-9-20-8-6-18-13-20/h1-6,8,13,15H,7,9-12H2,(H,19,23)
InChIKeyFIWWJZLAOYASDU-UHFFFAOYSA-N
XLogP0.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide (CID 71877952) is 4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide is O=C(NCCn1ccnc1)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is FIWWJZLAOYASDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16-12-24-11-15(21(16)10-14-4-2-1-3-5-14)17(23)19-7-9-20-8-6-18-13-20/h1-6,8,13,15H,7,9-12H2,(H,19,23).
What are the key properties of 4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide?
4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2-imidazol-1-ylethyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 71877952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).