4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide

C20H21N3O2 — CID 5331395

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-2-18(15-7-4-3-5-8-15)21-22-20(25)16-10-12-17(13-11-16)23-14-6-9-19(23)24/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,22,25)/b21-18+
InChIKeyVZNCFTWWLBCRDV-DYTRJAOYSA-N
MW335.41 g/mol
LogP3.36
Rot. Bonds5

About 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide

4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide (PubChem CID 5331395) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide
PubChem CID5331395
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-2-18(15-7-4-3-5-8-15)21-22-20(25)16-10-12-17(13-11-16)23-14-6-9-19(23)24/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,22,25)/b21-18+
InChIKeyVZNCFTWWLBCRDV-DYTRJAOYSA-N
XLogP3.36
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide (CID 5331395) is 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide is CC/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide?
The InChIKey is VZNCFTWWLBCRDV-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-18(15-7-4-3-5-8-15)21-22-20(25)16-10-12-17(13-11-16)23-14-6-9-19(23)24/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,22,25)/b21-18+.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide?
4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[(E)-1-phenylpropylideneamino]benzamide is sourced from PubChem (CID 5331395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).