4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide

C17H21N3O4 — CID 71877658

IUPAC4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide
SMILESCN1CC(NC(=O)C2COCC(=O)N2Cc2ccccc2)CC1=O
InChIInChI=1S/C17H21N3O4/c1-19-9-13(7-15(19)21)18-17(23)14-10-24-11-16(22)20(14)8-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,18,23)
InChIKeyNOZXZBSYFQDSFS-UHFFFAOYSA-N
MW331.37 g/mol
LogP-0.24
Rot. Bonds4

About 4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide

4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide (PubChem CID 71877658) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide
PubChem CID71877658
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide
SMILESCN1CC(NC(=O)C2COCC(=O)N2Cc2ccccc2)CC1=O
InChIInChI=1S/C17H21N3O4/c1-19-9-13(7-15(19)21)18-17(23)14-10-24-11-16(22)20(14)8-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,18,23)
InChIKeyNOZXZBSYFQDSFS-UHFFFAOYSA-N
XLogP-0.24
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide (CID 71877658) is 4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide is CN1CC(NC(=O)C2COCC(=O)N2Cc2ccccc2)CC1=O.
What is the InChIKey of 4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide?
The InChIKey is NOZXZBSYFQDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-19-9-13(7-15(19)21)18-17(23)14-10-24-11-16(22)20(14)8-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,18,23).
What are the key properties of 4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide?
4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 71877658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).