4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide

C20H21N3O2 — CID 790502

IUPAC4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide
SMILESCCC(=NNC(=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)
InChIKeyVZNCFTWWLBCRDV-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.36
Rot. Bonds5

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

4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide (PubChem CID 790502) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide
PubChem CID790502
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide
SMILESCCC(=NNC(=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)
InChIKeyVZNCFTWWLBCRDV-UHFFFAOYSA-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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Related Compounds

N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
4-(2-oxopyrrolidin-1-yl)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 792183
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41375622
4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5406284
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
(2-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883
N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4881454
4-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8826078
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide (CID 790502) is 4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide is CCC(=NNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide?
The InChIKey is VZNCFTWWLBCRDV-UHFFFAOYSA-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).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide?
4-(2-oxopyrrolidin-1-yl)-N-(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-(1-phenylpropylideneamino)benzamide is sourced from PubChem (CID 790502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).