4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide

C18H22N4O3 — CID 71877755

IUPAC4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide
SMILESCN(Cc1nccn1C)C(=O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H22N4O3/c1-20-9-8-19-16(20)11-21(2)18(24)15-12-25-13-17(23)22(15)10-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3
InChIKeyQTPIISLBCUFMSE-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.81
Rot. Bonds5

About 4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide

4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide (PubChem CID 71877755) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide
PubChem CID71877755
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide
SMILESCN(Cc1nccn1C)C(=O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H22N4O3/c1-20-9-8-19-16(20)11-21(2)18(24)15-12-25-13-17(23)22(15)10-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3
InChIKeyQTPIISLBCUFMSE-UHFFFAOYSA-N
XLogP0.81
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide (CID 71877755) is 4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide is CN(Cc1nccn1C)C(=O)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is QTPIISLBCUFMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-20-9-8-19-16(20)11-21(2)18(24)15-12-25-13-17(23)22(15)10-14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3.
What are the key properties of 4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide?
4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 71877755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).